Vitas-M small molecule compound
methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK956508
SMILES COC(=O)c1sc2c(c1NC(=O)C)c(SCc1ccc(cc1)Cl)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 C19H15ClN2O5S2 MW 450.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O5S2/c1-10(23)21-17-16-14(28-9-11-3-5-12(20)6-4-11)7-13(22(25)26)8-15(16)29-18(17)19(24)27-2/h3-8H,9H2,1-2H3,(H,21,23)InChIKey
QVXPMGVCUOIOKH-UHFFFAOYSA-NSynonyms
438231-33-5438231335
CC(=O)NC1=C(SC2=C1C(=CC(=C2)(N+)(=O)(O))SCC3=CC=C(C=C3)Cl)C(=O)OC
COC(=O)c1sc2c(c1NC(=O)C)c(SCc1ccc(cc1)Cl)cc(c2)(N+)(=O)(O)
InChI=1SC19H15ClN2O5S2c110(23)21171614(289113512(20)6411)713(22(25)26)815(16)2918(17)19(24)272h38H9H212H3(H2123)
methyl3(acetylamino)4((4chlorobenzyl)sulfanyl)6nitro1benzothiophene2carboxylate
METHYL3ACETAMIDO4((4CHLOROPHENYL)METHYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
MFCD03467176
ZINC000002765302
ZINC02765302
ZINC2765302
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