Vitas-M small molecule compound

methyl (4,6-diazido-1-oxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetate

Catalog ID
STK765302
SMILES [N-]=[N+]=Nc1cc(N=[N+]=[N-])cc2c1c(=O)n(s2=O)CC(=O)OC

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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 C10H7N7O4S MW 321.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H7N7O4S/c1-21-8(18)4-17-10(19)9-6(14-16-12)2-5(13-15-11)3-7(9)22(17)20/h2-3H,4H2,1H3
InChIKey
UQZSFKNGMIOTFI-UHFFFAOYSA-N
Synonyms

(N)=(N+)=Nc1cc(N=(N+)=(N))cc2c1c(=O)n(s2=O)CC(=O)OC
COC(=O)CN1C(=O)C2=C(C=C(C=C2S1=O)N=(N+)=(N))N=(N+)=(N)
InChI=1SC10H7N7O4Sc1218(18)41710(19)96(141612)25(131511)37(9)22(17)20h23H4H21H3
methyl(46diazido1oxido3oxo12benzothiazol2(3H)yl)acetate
METHYL2(46DIAZIDO13DIOXO12BENZOTHIAZOL2YL)ACETATE
MFCD02933629
ZINC000250433183
ZINC000250433189
ZINC15240183

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.