Vitas-M small molecule compound
ethyl 2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL169979
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])OC)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 C19H20N2O6S MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O6S/c1-3-27-19(23)16-12-6-4-5-7-15(12)28-18(16)20-17(22)11-8-9-14(26-2)13(10-11)21(24)25/h8-10H,3-7H2,1-2H3,(H,20,22)InChIKey
HHSDIMUWWWBTHY-UHFFFAOYSA-NSynonyms
313483-57-7313483577
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)OC)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))OC)sc2c1CCCC2
ethyl2(((4methoxy3nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4methoxy3nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H20N2O6Sc132719(23)1612645715(12)2818(16)2017(22)118914(262)13(1011)21(24)25h810H37H212H3(H2022)
MFCD00753803
ZINC000000677494
ZINC00677494
ZINC677494
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