Vitas-M small molecule compound
4-(2-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK138017
SMILES OC(=O)c1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H19N3O5 MW 429.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O5/c1-14-5-8-19(12-15(14)2)27-22(29)20(21(28)25-24(27)32)13-18-4-3-11-26(18)17-9-6-16(7-10-17)23(30)31/h3-13H,1-2H3,(H,30,31)(H,25,28,32)/b20-13+InChIKey
NYKQPWPQGXWDQH-DEDYPNTBSA-NSynonyms
4(2((E)(1(34DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
4(2((E)(1(34DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)NC2=O)C
InChI=1SC24H19N3O5c1145819(1215(14)2)2722(29)20(21(28)2524(27)32)1318431126(18)179616(71017)23(30)31h313H12H3(H3031)(H252832)b2013+
MFCD04357130
OC(=O)c1ccc(cc1)n1cccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C
ZINC000009851582
ZINC9851582
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