Vitas-M small molecule compound
methyl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK440915
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(cc1[N+](=O)[O-])Cl
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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 C19H19ClN2O5S MW 422.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O5S/c1-3-10-4-6-13-15(8-10)28-18(16(13)19(24)27-2)21-17(23)12-7-5-11(20)9-14(12)22(25)26/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,21,23)InChIKey
MKGYLRVBYPUWEX-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(cc1(N+)(=O)(O))Cl
InChI=1SC19H19ClN2O5Sc1310461315(810)2818(16(13)19(24)272)2117(23)127511(20)914(12)22(25)26h57910H3468H212H3(H2123)
methyl2(((4chloro2nitrophenyl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2((4chloro2nitrobenzoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD02372187
ZINC000000659519
ZINC000000659520
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