Vitas-M small molecule compound
ethyl 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-carboxylate
Catalog ID
STL148508
SMILES CCOC(=O)c1c(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 C29H29N3O5S MW 531.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5S/c1-5-37-28(35)24-21-8-6-7-9-23(21)38-27(24)31-17(3)14-19(18(31)4)15-22-25(33)30-29(36)32(26(22)34)20-12-10-16(2)11-13-20/h10-15H,5-9H2,1-4H3,(H,30,33,36)/b22-15+InChIKey
HIMBNPFMQMEXJC-PXLXIMEGSA-NSynonyms
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C)O
ethyl2(3((E)(2hydroxy1(4methylphenyl)46dioxo16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
MFCD03795002
ZINC000002298958
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