Vitas-M small molecule compound
propan-2-yl 6-methyl-2-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK421573
SMILES CC(OC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)C)sc2c1CCC(C2)C)C
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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 C25H31NO3S MW 425.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO3S/c1-15(2)19-10-7-18(8-11-19)9-13-22(27)26-24-23(25(28)29-16(3)4)20-12-6-17(5)14-21(20)30-24/h7-11,13,15-17H,6,12,14H2,1-5H3,(H,26,27)/b13-9+InChIKey
LNZKKRIMLFITCE-UKTHLTGXSA-NSynonyms
CC(OC(=O)c1c(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c1CCC(C2)C)C
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C=CC3=CC=C(C=C3)C(C)C
InChI=1SC25H31NO3Sc115(2)1910718(81119)91322(27)262423(25(28)2916(3)4)2012617(5)1421(20)3024h711131517H61214H215H3(H2627)b139+
MFCD01341573
propan2yl6methyl2(((2E)3(4(propan2yl)phenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl6methyl2(((E)3(4propan2ylphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002736772
ZINC000002736774
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