Vitas-M small molecule compound
4-[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL400036
SMILES Clc1cccc(c1)Cn1ncc(c1)n1c(S)nnc1c1cc(C)nc2c1c(C)nn2C
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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 C21H19ClN8S MW 450.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN8S/c1-12-7-17(18-13(2)27-28(3)20(18)24-12)19-25-26-21(31)30(19)16-9-23-29(11-16)10-14-5-4-6-15(22)8-14/h4-9,11H,10H2,1-3H3,(H,26,31)InChIKey
QVXFPSOFHWQFEZ-UHFFFAOYSA-NSynonyms
1006319-62-51006319625
4(1((3chlorophenyl)methyl)pyrazol4yl)3(136trimethylpyrazolo(34b)pyridin4yl)1H124triazole5thione
4(1(3chlorobenzyl)1Hpyrazol4yl)5(136trimethyl1Hpyrazolo(34b)pyridin4yl)4H124triazole3thiol
CC1=NC2=C(C(=NN2C)C)C(=C1)C3=NNC(=S)N3C4=CN(N=C4)CC5=CC(=CC=C5)Cl
InChI=1SC21H19ClN8Sc112717(1813(2)2728(3)20(18)2412)19252621(31)30(19)1692329(1116)101454615(22)814h4911H10H213H3(H2631)
MFCD08553245
ZINC000022531132
ZINC22531132
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