Vitas-M small molecule compound
methyl 3-(acetyloxy)-4,6-dinitro-1-benzothiophene-2-carboxylate
Catalog ID
STK769589
SMILES COC(=O)c1sc2c(c1OC(=O)C)c(cc(c2)[N+](=O)[O-])[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 C12H8N2O8S MW 340.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N2O8S/c1-5(15)22-10-9-7(14(19)20)3-6(13(17)18)4-8(9)23-11(10)12(16)21-2/h3-4H,1-2H3InChIKey
JBEALWVCMTVPEC-UHFFFAOYSA-NSynonyms
BENZO(B)THIOPHENE2CARBOXYLICACID3ACETOXY46DINITROMETHYLESTER
CC(=O)OC1=C(SC2=CC(=CC(=C21)(N+)(=O)(O))(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1OC(=O)C)c(cc(c2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H8N2O8Sc15(15)221097(14(19)20)36(13(17)18)48(9)2311(10)12(16)212h34H12H3
methyl3(acetyloxy)46dinitro1benzothiophene2carboxylate
METHYL3ACETYLOXY46DINITRO1BENZOTHIOPHENE2CARBOXYLATE
MFCD03409373
ZINC000003622344
ZINC03622344
ZINC3622344
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