Vitas-M small molecule compound
ethyl 6-ethyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK375608
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2c1CCC(C2)CC
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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/c1-3-14-7-11-17-18(13-14)30-21(20(17)22(26)29-4-2)23-19(25)12-8-15-5-9-16(10-6-15)24(27)28/h5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,23,25)/b12-8+InChIKey
NJWLSFPWOSIAFY-XYOKQWHBSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)(N+)(=O)(O))sc2c1CCC(C2)CC
ethyl6ethyl2(((2E)3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2(((E)3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H24N2O5Sc13147111718(1314)3021(20(17)22(26)2942)2319(25)128155916(10615)24(27)28h568101214H3471113H212H3(H2325)b128+
MFCD01346090
ZINC000002739234
ZINC000002739236
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