Vitas-M small molecule compound
propan-2-yl 6-methyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK421784
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)/C=C/c1ccc(cc1)[N+](=O)[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 C22H24N2O5S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5S/c1-13(2)29-22(26)20-17-10-4-14(3)12-18(17)30-21(20)23-19(25)11-7-15-5-8-16(9-6-15)24(27)28/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,23,25)/b11-7+InChIKey
OVTBPFLVDWQIGE-YRNVUSSQSA-NSynonyms
353475-36-2353475362
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)C=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H24N2O5Sc113(2)2922(26)201710414(3)1218(17)3021(20)2319(25)117155816(9615)24(27)28h59111314H41012H213H3(H2325)b117+
MFCD01345378
propan2yl6methyl2(((2E)3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl6methyl2(((E)3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002736993
ZINC000002736995
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