Vitas-M small molecule compound
5-(3-{(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Catalog ID
STK187909
SMILES Clc1cccc(c1)N1C(=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 C25H18ClN3O6S MW 523.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN3O6S/c1-12-6-14(13(2)28(12)19-8-15(23(32)33)7-16(9-19)24(34)35)10-20-21(30)27-25(36)29(22(20)31)18-5-3-4-17(26)11-18/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b20-10-InChIKey
JICUQZNLMIVTEY-JMIUGGIZSA-NSynonyms
(Z)5(3((1(3chlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)isophthalicacid
5(3((Z)(1(3CHLOROPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((Z)(1(3CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((Z)(1(3CHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cc(cc(c2)C(=O)O)C(=O)O)C)C1=O
InChI=1SC25H18ClN3O6Sc112614(13(2)28(12)19815(23(32)33)716(919)24(34)35)102021(30)2725(36)29(22(20)31)1853417(26)1118h311H12H3(H3233)(H3435)(H273036)b2010
MFCD02905020
ZINC43071364
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