Vitas-M small molecule compound
ethyl 2-(acetylamino)-7-hydroxy-4,6-dinitro-1-benzothiophene-3-carboxylate
Catalog ID
STK279785
SMILES CCOC(=O)c1c(NC(=O)C)sc2c1c(cc(c2O)[N+](=O)[O-])[N+](=O)[O-]
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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 C13H11N3O8S MW 369.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O8S/c1-3-24-13(19)9-8-6(15(20)21)4-7(16(22)23)10(18)11(8)25-12(9)14-5(2)17/h4,18H,3H2,1-2H3,(H,14,17)InChIKey
IIGUNLSMXWMKEU-UHFFFAOYSA-NSynonyms
113408-04-1113408041
CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)(N+)(=O)(O))(N+)(=O)(O))NC(=O)C
CCOC(=O)c1c(NC(=O)C)sc2c1c(cc(c2O)(N+)(=O)(O))(N+)(=O)(O)
ETHYL2(ACETYLAMINO)7HYDROXY46BISNITRO1BENZOTHIOPHENE3CARBOXYLATE
ethyl2(acetylamino)7hydroxy46dinitro1benzothiophene3carboxylate
ETHYL2(ACETYLAMINO)7HYDROXY46DINITROBENZO(B)THIOPHENE3CARBOXYLATE
ETHYL2ACETAMIDO7HYDROXY46DINITRO1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC13H11N3O8Sc132413(19)986(15(20)21)47(16(22)23)10(18)11(8)2512(9)145(2)17h418H3H212H3(H1417)
MFCD00377734
ZINC000008781317
ZINC8781317
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