Vitas-M small molecule compound
methyl 3-hydroxy-4,6-dinitro-1-benzothiophene-2-carboxylate
Catalog ID
STK769588
SMILES COC(=O)c1sc2c(c1O)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 C10H6N2O7S MW 298.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H6N2O7S/c1-19-10(14)9-8(13)7-5(12(17)18)2-4(11(15)16)3-6(7)20-9/h2-3,13H,1H3InChIKey
RVEUEHXRASBOTE-UHFFFAOYSA-NSynonyms
(2E)2(HYDROXY(METHOXY)METHYLIDENE)46DINITRO1BENZOTHIOPHEN3ONE
2(HYDROXY(METHOXY)METHYLIDENE)46DINITRO1BENZOTHIOPHEN3ONE
BENZO(B)THIOPHENE2CARBOXYLICACID3HYDROXY46DINITROMETHYLESTER
COC(=O)C1=C(C2=C(C=C(C=C2S1)(N+)(=O)(O))(N+)(=O)(O))O
COC(=O)c1sc2c(c1O)c(cc(c2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC10H6N2O7Sc11910(14)98(13)75(12(17)18)24(11(15)16)36(7)209h2313H1H3
methyl3hydroxy46dinitro1benzothiophene2carboxylate
METHYL3HYDROXY46DINITROBENZO(B)THIOPHENE2CARBOXYLATE
MFCD03409372
ZINC000003622342
ZINC3622342
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