Vitas-M small molecule compound
ethyl 7-hydroxy-4,6-dinitro-2-[(phenylcarbonyl)amino]-1-benzothiophene-3-carboxylate
Catalog ID
STK280038
SMILES CCOC(=O)c1c(NC(=O)c2ccccc2)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 C18H13N3O8S MW 431.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O8S/c1-2-29-18(24)13-12-10(20(25)26)8-11(21(27)28)14(22)15(12)30-17(13)19-16(23)9-6-4-3-5-7-9/h3-8,22H,2H2,1H3,(H,19,23)InChIKey
ZWGZLYCAGLVLSJ-UHFFFAOYSA-NSynonyms
113408-06-3113408063
CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)(N+)(=O)(O))(N+)(=O)(O))NC(=O)C3=CC=CC=C3
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1c(cc(c2O)(N+)(=O)(O))(N+)(=O)(O)
ETHYL2BENZAMIDO7HYDROXY46DINITRO1BENZOTHIOPHENE3CARBOXYLATE
ethyl7hydroxy46dinitro2((phenylcarbonyl)amino)1benzothiophene3carboxylate
ETHYL7HYDROXY46DINITRO2(PHENYLCARBONYLAMINO)BENZO(B)THIOPHENE3CARBOXYLATE
InChI=1SC18H13N3O8Sc122918(24)131210(20(25)26)811(21(27)28)14(22)15(12)3017(13)1916(23)9643579h3822H2H21H3(H1923)
MFCD00544546
ZINC000004422394
ZINC4422394
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