Vitas-M small molecule compound
methyl 6-(2-methylbutan-2-yl)-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK429320
SMILES COC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2c1CCC(C2)C(CC)(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 C24H28N2O5S MW 456.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5S/c1-5-24(2,3)16-10-11-18-19(14-16)32-22(21(18)23(28)31-4)25-20(27)12-9-15-7-6-8-17(13-15)26(29)30/h6-9,12-13,16H,5,10-11,14H2,1-4H3,(H,25,27)/b12-9+InChIKey
QBNFUIRPHGCBFI-FMIVXFBMSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))sc2c1CCC(C2)C(CC)(C)C
InChI=1SC24H28N2O5Sc1524(23)1610111819(1416)3222(21(18)23(28)314)2520(27)1291576817(1315)26(29)30h69121316H5101114H214H3(H2527)b129+
methyl6(2methylbutan2yl)2(((2E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6(2methylbutan2yl)2(((E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01338174
ZINC000002729576
ZINC000002729578
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