Vitas-M small molecule compound

2-benzyl-4,6-dinitro-1,2-benzothiazol-3(2H)-one 1-oxide

Catalog ID
STK763307
SMILES [O-][N+](=O)c1cc(cc2c1c(=O)n(s2=O)Cc1ccccc1)[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 C14H9N3O6S MW 347.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N3O6S/c18-14-13-11(17(21)22)6-10(16(19)20)7-12(13)24(23)15(14)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
QLSAUETWQATGKK-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(cc2c1c(=O)n(s2=O)Cc1ccccc1)(N+)(=O)(O)
2BENZYL3OXO46DINITRO23DIHYDRO12BENZISOTHIAZOLE1OXIDE
2BENZYL46DINITRO12BENZISOTHIAZOL3(2H)ONE1OXIDE
2benzyl46dinitro12benzothiazol3(2H)one1oxide
2BENZYL46DINITRO1OXO12BENZOTHIAZOL3ONE
C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3S2=O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H9N3O6Sc18141311(17(21)22)610(16(19)20)712(13)24(23)15(14)89421359h17H8H2
MFCD02647196
ZINC000245236171
ZINC000245236172
ZINC03671797
ZINC3671797

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Available files

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