Vitas-M small molecule compound
6-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL404111
SMILES [O-][N+](=O)c1nn(cc1Br)Cc1cccc(c1)c1nn2c(s1)nnc2
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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 C13H8BrN7O2S MW 406.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8BrN7O2S/c14-10-6-19(17-11(10)21(22)23)5-8-2-1-3-9(4-8)12-18-20-7-15-16-13(20)24-12/h1-4,6-7H,5H2InChIKey
ZWNOAXPJVXOHCY-UHFFFAOYSA-NSynonyms
1020723-54-9(O)(N+)(=O)c1nn(cc1Br)Cc1cccc(c1)c1nn2c(s1)nnc2
1020723549
6(3((4bromo3nitro1Hpyrazol1yl)methyl)phenyl)(124)triazolo(34b)(134)thiadiazole
6(3((4bromo3nitropyrazol1yl)methyl)phenyl)(124)triazolo(34b)(134)thiadiazole
C1=CC(=CC(=C1)CN2C=C(C(=N2)(N+)(=O)(O))Br)C3=NN4C=NN=C4S3
InChI=1SC13H8BrN7O2Sc1410619(1711(10)21(22)23)582139(48)1218207151613(20)2412h1467H5H2
MFCD08557922
ZINC000020606029
ZINC20606029
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