Vitas-M small molecule compound
ethyl 2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK048882
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCCC2
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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 C19H20N2O5S MW 388.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5S/c1-3-26-19(23)16-13-6-4-5-7-15(13)27-18(16)20-17(22)12-8-9-14(21(24)25)11(2)10-12/h8-10H,3-7H2,1-2H3,(H,20,22)InChIKey
ZXVYRICUDCABTD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((3methyl4nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3methyl4nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H20N2O5Sc132619(23)1613645715(13)2718(16)2017(22)128914(21(24)25)11(2)1012h810H37H212H3(H2022)
MFCD00581909
STK048882
ZINC000000974475
ZINC00974475
ZINC974475
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