Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}-1-benzothiophene-3-carboxylate
Catalog ID
STK441533
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2c1cccc2
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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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-2-27-20(24)18-15-5-3-4-6-16(15)28-19(18)21-17(23)12-9-13-7-10-14(11-8-13)22(25)26/h3-12H,2H2,1H3,(H,21,23)/b12-9+InChIKey
UNOPEQSDKSGZLH-FMIVXFBMSA-NSynonyms
CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
ethyl2(((2E)3(4nitrophenyl)prop2enoyl)amino)1benzothiophene3carboxylate
ETHYL2(((E)3(4NITROPHENYL)PROP2ENOYL)AMINO)1BENZOTHIOPHENE3CARBOXYLATE
ETHYL2((2E)3(4NITROPHENYL)PROP2ENOYLAMINO)BENZO(B)THIOPHENE3CARBOXYLATE
InChI=1SC20H16N2O5Sc122720(24)1815534616(15)2819(18)2117(23)1291371014(11813)22(25)26h312H2H21H3(H2123)b129+
MFCD03389740
ZINC000002749920
ZINC02749920
ZINC2749920
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