Vitas-M small molecule compound
4,6-dinitro-2-phenyl-1,2-benzothiazol-3(2H)-one 1-oxide
Catalog ID
STK764523
SMILES [O-][N+](=O)c1cc(cc2c1c(=O)n(s2=O)c1ccccc1)[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 C13H7N3O6S MW 333.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7N3O6S/c17-13-12-10(16(20)21)6-9(15(18)19)7-11(12)23(22)14(13)8-4-2-1-3-5-8/h1-7HInChIKey
NDEKPPFFSPXGCF-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(cc2c1c(=O)n(s2=O)c1ccccc1)(N+)(=O)(O)
46DINITRO1OXO2PHENYL12BENZOTHIAZOL3ONE
46dinitro2phenyl12benzothiazol3(2H)one1oxide
C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3S2=O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H7N3O6Sc17131210(16(20)21)69(15(18)19)711(12)23(22)14(13)8421358h17H
MFCD03035286
ZINC000245235768
ZINC000245235769
ZINC04558095
ZINC4558095
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