Vitas-M small molecule compound
6-nitro-3-(3-nitrophenoxy)-1,2-benzothiazole 1,1-dioxide
Catalog ID
STK331451
SMILES [O-][N+](=O)c1ccc2c(c1)S(=O)(=O)N=C2Oc1cccc(c1)[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 C13H7N3O7S MW 349.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7N3O7S/c17-15(18)8-2-1-3-10(6-8)23-13-11-5-4-9(16(19)20)7-12(11)24(21,22)14-13/h1-7HInChIKey
GXOQUQVBDMXKEH-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)S(=O)(=O)N=C2Oc1cccc(c1)(N+)(=O)(O)
6nitro3(3nitrophenoxy)12benzothiazole11dioxide
C1=CC(=CC(=C1)OC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H7N3O7Sc1715(18)821310(68)231311549(16(19)20)712(11)24(2122)1413h17H
MFCD00486265
ZINC000018194462
ZINC18194462
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