Vitas-M small molecule compound
3-(2-{(E)-[1-(2,4-dimethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK198807
SMILES COc1ccc(c(c1)OC)N1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(c2)C(=O)O)/C1=O
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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 C24H19N3O6S MW 477.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O6S/c1-32-17-8-9-19(20(13-17)33-2)27-22(29)18(21(28)25-24(27)34)12-16-7-4-10-26(16)15-6-3-5-14(11-15)23(30)31/h3-13H,1-2H3,(H,30,31)(H,25,28,34)/b18-12+InChIKey
ZOPCTLHQWWISFK-LDADJPATSA-NSynonyms
3(2((1(24DIMETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
3(2((E)(1(24DIMETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
3(2((E)(1(24DIMETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
COC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C(=O)NC2=S)OC
COc1ccc(c(c1)OC)N1C(=S)NC(=O)C(=Cc2cccn2c2cccc(c2)C(=O)O)C1=O
InChI=1SC24H19N3O6Sc132178919(20(1317)332)2722(29)18(21(28)2524(27)34)1216741026(16)1563514(1115)23(30)31h313H12H3(H3031)(H252834)b1812+
MFCD03861761
ZINC000004402669
ZINC4402669
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.