Vitas-M small molecule compound
ethyl 3-(acetylamino)-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK768035
SMILES CCOC(=O)c1sc2c(c1NC(=O)C)c(SCc1ccccc1)cc(c2)[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 C20H18N2O5S2 MW 430.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S2/c1-3-27-20(24)19-18(21-12(2)23)17-15(28-11-13-7-5-4-6-8-13)9-14(22(25)26)10-16(17)29-19/h4-10H,3,11H2,1-2H3,(H,21,23)InChIKey
MMTQPFJGLBVICG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CC=C3)(N+)(=O)(O))NC(=O)C
CCOC(=O)c1sc2c(c1NC(=O)C)c(SCc1ccccc1)cc(c2)(N+)(=O)(O)
ethyl3(acetylamino)4(benzylsulfanyl)6nitro1benzothiophene2carboxylate
ETHYL3ACETAMIDO4BENZYLSULFANYL6NITRO1BENZOTHIOPHENE2CARBOXYLATE
InChI=1SC20H18N2O5S2c132720(24)1918(2112(2)23)1715(2811137546813)914(22(25)26)1016(17)2919h410H311H212H3(H2123)
MFCD03308008
ZINC000003618849
ZINC03618849
ZINC3618849
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