Vitas-M small molecule compound
ethyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK418213
SMILES CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCC(C2)C
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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/c1-3-27-19(24)16-12-6-4-10(2)8-15(12)28-18(16)21-17(23)13-9-11(20)5-7-14(13)22(25)26/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,21,23)InChIKey
BRMIZLKREANCPL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2(N+)(=O)(O))sc2c1CCC(C2)C
ethyl2(((5chloro2nitrophenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((5chloro2nitrobenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H19ClN2O5Sc132719(24)16126410(2)815(12)2818(16)2117(23)13911(20)5714(13)22(25)26h57910H3468H212H3(H2123)
MFCD01919632
ZINC000000997933
ZINC000000997934
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