Vitas-M small molecule compound
5-(3-{(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Catalog ID
STK195631
SMILES CCc1ccccc1N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cc(cc(c2)C(=O)O)C(=O)O)C)/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 C27H23N3O6S MW 517.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6S/c1-4-16-7-5-6-8-22(16)30-24(32)21(23(31)28-27(30)37)13-17-9-14(2)29(15(17)3)20-11-18(25(33)34)10-19(12-20)26(35)36/h5-13H,4H2,1-3H3,(H,33,34)(H,35,36)(H,28,31,37)/b21-13+InChIKey
MMQRSFFSKMGAMF-FYJGNVAPSA-NSynonyms
5(3((1(2ETHYLPHENYL)46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)25DIMETHYLPYRROLYL)BENZENE13DICARBOXYLICACID
5(3((E)(1(2ETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((E)(1(2ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
CCC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=CC(=C4)C(=O)O)C(=O)O)C)C(=O)NC2=S
CCc1ccccc1N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cc(cc(c2)C(=O)O)C(=O)O)C)C1=O
InChI=1SC27H23N3O6Sc1416756822(16)3024(32)21(23(31)2827(30)37)1317914(2)29(15(17)3)201118(25(33)34)1019(1220)26(35)36h513H4H213H3(H3334)(H3536)(H283137)b2113+
MFCD02790773
ZINC000004083864
ZINC4083864
Check stock
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Check stock on Vitas-MAvailable files
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