Vitas-M small molecule compound
methyl 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK444394
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(c(c1)[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/c1-3-10-4-6-12-15(8-10)28-18(16(12)19(24)27-2)21-17(23)11-5-7-13(20)14(9-11)22(25)26/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,21,23)InChIKey
MVYIPDKFCZVYMS-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC19H19ClN2O5Sc1310461215(810)2818(16(12)19(24)272)2117(23)115713(20)14(911)22(25)26h57910H3468H212H3(H2123)
methyl2(((4chloro3nitrophenyl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2((4chloro3nitrobenzoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD01355821
ZINC000017093323
ZINC000017093324
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