Vitas-M small molecule compound
2-(3-{(E)-[2-hydroxy-1-(4-methylphenyl)-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL037385
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C)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 C27H24N4O3S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3S/c1-15-8-10-19(11-9-15)31-25(33)21(24(32)29-27(31)34)13-18-12-16(2)30(17(18)3)26-22(14-28)20-6-4-5-7-23(20)35-26/h8-13H,4-7H2,1-3H3,(H,29,32,34)/b21-13+InChIKey
RILWCXUGLLWATH-FYJGNVAPSA-NSynonyms
2(3((E)(2hydroxy1(4methylphenyl)46dioxo16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
MFCD03807990
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C)O
ZINC000002292166
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