Vitas-M small molecule compound
3-(2-{(E)-[1-(2,5-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK113252
SMILES Cc1ccc(c(c1)N1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(c2)C(=O)O)/C1=O)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 C24H19N3O4S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O4S/c1-14-8-9-15(2)20(11-14)27-22(29)19(21(28)25-24(27)32)13-18-7-4-10-26(18)17-6-3-5-16(12-17)23(30)31/h3-13H,1-2H3,(H,30,31)(H,25,28,32)/b19-13+InChIKey
MCCBBOVYEXCBGC-CPNJWEJPSA-NSynonyms
3(2((E)(1(25DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
3(2((E)(1(25DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C(=O)NC2=S
Cc1ccc(c(c1)N1C(=S)NC(=O)C(=Cc2cccn2c2cccc(c2)C(=O)O)C1=O)C
InChI=1SC24H19N3O4Sc1148915(2)20(1114)2722(29)19(21(28)2524(27)32)1318741026(18)1763516(1217)23(30)31h313H12H3(H3031)(H252832)b1913+
MFCD05149563
ZINC000009264461
ZINC9264461
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