Vitas-M small molecule compound
ethyl 3-(acetylamino)-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK766657
SMILES CCOC(=O)c1sc2c(c1NC(=O)C)c(SCC(C)C)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 C17H20N2O5S2 MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O5S2/c1-5-24-17(21)16-15(18-10(4)20)14-12(25-8-9(2)3)6-11(19(22)23)7-13(14)26-16/h6-7,9H,5,8H2,1-4H3,(H,18,20)InChIKey
RIPZRJFTUHMCMW-UHFFFAOYSA-NSynonyms
3ACETYLAMINO4ISOBUTYLSULFANYL6NITROBENZO(B)THIOPHENE2CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(C)C)(N+)(=O)(O))NC(=O)C
CCOC(=O)c1sc2c(c1NC(=O)C)c(SCC(C)C)cc(c2)(N+)(=O)(O)
ethyl3(acetylamino)4((2methylpropyl)sulfanyl)6nitro1benzothiophene2carboxylate
ETHYL3(ACETYLAMINO)4(2METHYLPROPYLTHIO)6NITROBENZO(B)THIOPHENE2CARBOXYLATE
ETHYL3(ACETYLAMINO)4(ISOBUTYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
ETHYL3ACETAMIDO4(2METHYLPROPYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
InChI=1SC17H20N2O5S2c152417(21)1615(1810(4)20)1412(2589(2)3)611(19(22)23)713(14)2616h679H58H214H3(H1820)
MFCD03017876
ZINC000003617457
ZINC03617457
ZINC3617457
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