Vitas-M small molecule compound
ethyl 2-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK440995
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc2c1CCCCC2
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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/c1-2-27-19(24)16-13-6-4-3-5-7-15(13)28-18(16)21-17(23)12-9-8-11(22(25)26)10-14(12)20/h8-10H,2-7H2,1H3,(H,21,23)InChIKey
LZZGGDDCMFJHJU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl
CCOC(=O)c1c(NC(=O)c2ccc(cc2Cl)(N+)(=O)(O))sc2c1CCCCC2
ethyl2(((2chloro4nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2chloro4nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC19H19ClN2O5Sc122719(24)16136435715(13)2818(16)2117(23)129811(22(25)26)1014(12)20h810H27H21H3(H2123)
MFCD01349928
ZINC000001114722
ZINC01114722
ZINC1114722
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