Vitas-M small molecule compound
4,6-dinitro-1,2-benzothiazol-3(2H)-one
Catalog ID
STK756760
SMILES [O-][N+](=O)c1cc(cc2c1c(=O)[nH]s2)[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 C7H3N3O5S MW 241.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H3N3O5S/c11-7-6-4(10(14)15)1-3(9(12)13)2-5(6)16-8-7/h1-2H,(H,8,11)InChIKey
SZSGLTJRGBVOOH-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(cc2c1c(=O)(nH)s2)(N+)(=O)(O)
46DINITRO12BENZISOTHIAZOLE3(2H)ONE
46dinitro12benzothiazol3(2H)one
46DINITRO12BENZOTHIAZOL3ONE
46DINITRO2HYDROBENZO(D)ISOTHIAZOL3ONE
C1=C(C=C2C(=C1(N+)(=O)(O))C(=O)NS2)(N+)(=O)(O)
InChI=1SC7H3N3O5Sc11764(10(14)15)13(9(12)13)25(6)1687h12H(H811)
MFCD01305674
ZINC000003664448
ZINC3664448
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