Vitas-M small molecule compound
methyl 3-(acetylamino)-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK956466
SMILES COC(=O)c1sc2c(c1NC(=O)C)c(SC1CCCCC1)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 C18H20N2O5S2 MW 408.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O5S2/c1-10(21)19-16-15-13(26-12-6-4-3-5-7-12)8-11(20(23)24)9-14(15)27-17(16)18(22)25-2/h8-9,12H,3-7H2,1-2H3,(H,19,21)InChIKey
IGQXIXIVZFFZEO-UHFFFAOYSA-NSynonyms
438230-71-8438230718
CC(=O)NC1=C(SC2=C1C(=CC(=C2)(N+)(=O)(O))SC3CCCCC3)C(=O)OC
InChI=1SC18H20N2O5S2c110(21)19161513(26126435712)811(20(23)24)914(15)2717(16)18(22)252h8912H37H212H3(H1921)
methyl3(acetylamino)4(cyclohexylsulfanyl)6nitro1benzothiophene2carboxylate
METHYL3ACETAMIDO4CYCLOHEXYLSULFANYL6NITRO1BENZOTHIOPHENE2CARBOXYLATE
MFCD03467061
ZINC000002113247
ZINC02113247
ZINC2113247
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