Vitas-M small molecule compound
4-benzyl-5-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK314921
SMILES [O-][N+](=O)c1cccc(c1)c1cc(c2nnc(n2Cc2ccccc2)S)c2c(n1)n(C)nc2C
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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 C23H19N7O2S MW 457.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N7O2S/c1-14-20-18(21-25-26-23(33)29(21)13-15-7-4-3-5-8-15)12-19(24-22(20)28(2)27-14)16-9-6-10-17(11-16)30(31)32/h3-12H,13H2,1-2H3,(H,26,33)InChIKey
YOLCDADUVVOFJJ-UHFFFAOYSA-NSynonyms
881472-13-5(O)(N+)(=O)c1cccc(c1)c1cc(c2nnc(n2Cc2ccccc2)S)c2c(n1)n(C)nc2C
4benzyl3(13dimethyl6(3nitrophenyl)pyrazolo(34b)pyridin4yl)1H124triazole5thione
4benzyl5(13dimethyl6(3nitrophenyl)1Hpyrazolo(34b)pyridin4yl)4H124triazole3thiol
5(13DIMETHYL6(3NITROPHENYL)PYRAZOLO(54B)PYRIDIN4YL)4BENZYL124TRIAZOLE3THIOL
881472135
CC1=NN(C2=C1C(=CC(=N2)C3=CC(=CC=C3)(N+)(=O)(O))C4=NNC(=S)N4CC5=CC=CC=C5)C
InChI=1SC23H19N7O2Sc1142018(21252623(33)29(21)13157435815)1219(2422(20)28(2)2714)16961017(1116)30(31)32h312H13H212H3(H2633)
MFCD08282996
ZINC000008782561
ZINC8782561
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