Vitas-M small molecule compound

6-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-9H-purine

Catalog ID
STK743020
SMILES [O-][N+](=O)c1cc(Br)c2c(c1Sc1ncnc3c1nc[nH]3)nsn2

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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 C11H4BrN7O2S2 MW 410.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H4BrN7O2S2/c12-4-1-5(19(20)21)9(7-6(4)17-23-18-7)22-11-8-10(14-2-13-8)15-3-16-11/h1-3H,(H,13,14,15,16)
InChIKey
BICNRUFKCWJSQG-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(Br)c2c(c1Sc1ncnc3c1nc(nH)3)nsn2
6((7bromo5nitro213benzothiadiazol4yl)sulfanyl)9Hpurine
7BROMO5NITRO4(7HPURIN6YLSULFANYL)213BENZOTHIADIAZOLE
C1=C(C2=NSN=C2C(=C1(N+)(=O)(O))SC3=NC=NC4=C3NC=N4)Br
InChI=1SC11H4BrN7O2S2c12415(19(20)21)9(76(4)1723187)2211810(142138)1531611h13H(H13141516)
MFCD03216811
ZINC000008846509
ZINC08846509
ZINC8846509

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Available files

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