Vitas-M small molecule compound

6-nitro-1,2-benzothiazol-3(2H)-one 1-oxide

Catalog ID
STK766638
SMILES [O-][N+](=O)c1ccc2c(c1)s(=O)[nH]c2=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 C7H4N2O4S MW 212.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H4N2O4S/c10-7-5-2-1-4(9(11)12)3-6(5)14(13)8-7/h1-3H,(H,8,10)
InChIKey
UNUPZDHGBOSWPV-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc2c(c1)s(=O)(nH)c2=O
3OXO6NITRO23DIHYDRO12BENZISOTHIAZOLE1OXIDE
6NITRO12BENZISOTHIAZOL3(2H)ONE1OXIDE
6nitro12benzothiazol3(2H)one1oxide
6NITRO1OXO12BENZOTHIAZOL3ONE
6NITRO2HYDROBENZO(D)ISOTHIAZOLE13DIONE
C1=CC2=C(C=C1(N+)(=O)(O))S(=O)NC2=O
InChI=1SC7H4N2O4Sc1075214(9(11)12)36(5)14(13)87h13H(H810)
MFCD03017859
ZINC000245238557
ZINC000245238558
ZINC02491908
ZINC2491908

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Available files

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