Vitas-M small molecule compound
5-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
Catalog ID
STK187763
SMILES S=C1NC(=O)C(=Cc2cc(n(c2C)c2cc(cc(c2)C(=O)O)C(=O)O)C)C(=O)N1
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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 C19H15N3O6S MW 413.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O6S/c1-8-3-10(7-14-15(23)20-19(29)21-16(14)24)9(2)22(8)13-5-11(17(25)26)4-12(6-13)18(27)28/h3-7H,1-2H3,(H,25,26)(H,27,28)(H2,20,21,23,24,29)InChIKey
BKWHPZHBDAHKRZ-UHFFFAOYSA-NSynonyms
5(3((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((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)NC3=O
InChI=1SC19H15N3O6Sc18310(71415(23)2019(29)2116(14)24)9(2)22(8)13511(17(25)26)412(613)18(27)28h37H12H3(H2526)(H2728)(H22021232429)
MFCD02790758
ZINC000002971445
ZINC2971445
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