Vitas-M small molecule compound
methyl 3-(acetylamino)-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK767904
SMILES COC(=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 C19H16N2O5S2 MW 416.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O5S2/c1-11(22)20-17-16-14(27-10-12-6-4-3-5-7-12)8-13(21(24)25)9-15(16)28-18(17)19(23)26-2/h3-9H,10H2,1-2H3,(H,20,22)InChIKey
DWZMXDXGGCCWBO-UHFFFAOYSA-NSynonyms
CC(=O)NC1=C(SC2=C1C(=CC(=C2)(N+)(=O)(O))SCC3=CC=CC=C3)C(=O)OC
COC(=O)c1sc2c(c1NC(=O)C)c(SCc1ccccc1)cc(c2)(N+)(=O)(O)
InChI=1SC19H16N2O5S2c111(22)20171614(2710126435712)813(21(24)25)915(16)2818(17)19(23)262h39H10H212H3(H2022)
methyl3(acetylamino)4(benzylsulfanyl)6nitro1benzothiophene2carboxylate
METHYL3(ACETYLAMINO)6NITRO4(PHENYLMETHYLTHIO)BENZO(B)THIOPHENE2CARBOXYLATE
METHYL3ACETAMIDO4BENZYLSULFANYL6NITRO1BENZOTHIOPHENE2CARBOXYLATE
MFCD03308096
ZINC000003618744
ZINC03618744
ZINC3618744
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