CHEBI:122144 - 4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester
ChEBI ID CHEBI:122144
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H19N5O3S
Net Charge 0
Average Mass 385.442
Monoisotopic Mass 385.12086
InChI InChI=1S/C18H19N5O3S/c1-5-26-17(25)15-12(4)19-18(27-15)23-16(24)14(11(3)22-23)21-20-13-8-6-7-10(2)9-13/h6-9,14H,5H2,1-4H3
InChIKey VWWACEFJSDMIAT-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(N=C(S1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC(=C3)C)C
ChEBI Ontology
Outgoing 4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester (CHEBI:122144) has functional parent α-amino acid (CHEBI:33704)
4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester (CHEBI:122144) is a organonitrogen compound (CHEBI:35352)
4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester (CHEBI:122144) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-33587 LINCS
View more database links