Vitas-M small molecule compound
methyl (4,6-dinitro-3-oxo-1,2-benzothiazol-2(3H)-yl)acetate
Catalog ID
STK765111
SMILES COC(=O)Cn1sc2c(c1=O)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 C10H7N3O7S MW 313.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H7N3O7S/c1-20-8(14)4-11-10(15)9-6(13(18)19)2-5(12(16)17)3-7(9)21-11/h2-3H,4H2,1H3InChIKey
JOHWNCWOHRPLAC-UHFFFAOYSA-NSynonyms
3OXO46DINITRO23DIHYDRO12BENZISOTHIAZOLE2ACETICACIDMETHYLESTER
ACETICACID2(3H46DINITRO3OXO12BENZISOTHIAZOL2YL)METHYLESTER
COC(=O)CN1C(=O)C2=C(C=C(C=C2S1)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)Cn1sc2c(c1=O)c(cc(c2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC10H7N3O7Sc1208(14)41110(15)96(13(18)19)25(12(16)17)37(9)2111h23H4H21H3
METHYL(46DINITRO3OXO12BENZISOTHIAZOL2(3H)YL)ACETATE
methyl(46dinitro3oxo12benzothiazol2(3H)yl)acetate
METHYL2(46DINITRO3OXO12BENZOTHIAZOL2YL)ACETATE
MFCD02933434
ZINC000003672441
ZINC03672441
ZINC3672441
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