Vitas-M small molecule compound
4-[1-(4-bromobenzyl)-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
STL397199
SMILES Brc1ccc(cc1)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 C21H19BrN8S MW 495.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN8S/c1-12-8-17(18-13(2)27-28(3)20(18)24-12)19-25-26-21(31)30(19)16-9-23-29(11-16)10-14-4-6-15(22)7-5-14/h4-9,11H,10H2,1-3H3,(H,26,31)InChIKey
KAWYOIBGJAUNQR-UHFFFAOYSA-NSynonyms
1006319-69-21006319692
4(1((4bromophenyl)methyl)pyrazol4yl)3(136trimethylpyrazolo(34b)pyridin4yl)1H124triazole5thione
4(1(4BROMOBENZYL)1HPYRAZOL4YL)5(136TRIMETHYL1HPYRAZOLO(34B)PYRIDIN4YL)4H124TRIAZOLE3THIOL
CC1=NC2=C(C(=NN2C)C)C(=C1)C3=NNC(=S)N3C4=CN(N=C4)CC5=CC=C(C=C5)Br
InChI=1SC21H19BrN8Sc112817(1813(2)2728(3)20(18)2412)19252621(31)30(19)1692329(1116)10144615(22)7514h4911H10H213H3(H2631)
MFCD08553256
ZINC000022754560
ZINC22754560
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