Vitas-M small molecule compound
5-(benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole
Catalog ID
STL055959
SMILES [O-][N+](=O)c1c(SCc2ccccc2)cc(c2c1non2)Cl
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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 C13H8ClN3O3S MW 321.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8ClN3O3S/c14-9-6-10(21-7-8-4-2-1-3-5-8)13(17(18)19)12-11(9)15-20-16-12/h1-6H,7H2InChIKey
IXDDPMJXMCYUBG-UHFFFAOYSA-NSynonyms
714919-26-3(O)(N+)(=O)c1c(SCc2ccccc2)cc(c2c1non2)Cl
5(benzylsulfanyl)7chloro4nitro213benzoxadiazole
5(benzylthio)7chloro4nitrobenzo(c)(125)oxadiazole
5BENZYLSULFANYL7CHLORO4NITRO213BENZOXADIAZOLE
714919263
C1=CC=C(C=C1)CSC2=C(C3=NON=C3C(=C2)Cl)(N+)(=O)(O)
InChI=1SC13H8ClN3O3Sc149610(2178421358)13(17(18)19)1211(9)15201612h16H7H2
MFCD02656632
ZINC000005477537
ZINC05477537
ZINC5477537
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