Vitas-M small molecule compound

4-[1-(2-fluorobenzyl)-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
STK314615
SMILES Cc1nc2n(C)nc(c2c(c1)c1nnc(n1c1cnn(c1)Cc1ccccc1F)S)C

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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 C21H19FN8S MW 434.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN8S/c1-12-8-16(18-13(2)27-28(3)20(18)24-12)19-25-26-21(31)30(19)15-9-23-29(11-15)10-14-6-4-5-7-17(14)22/h4-9,11H,10H2,1-3H3,(H,26,31)
InChIKey
GAUYPNLRLXVADD-UHFFFAOYSA-N
Synonyms
1006682-88-7
1006682887
4(1((2fluorophenyl)methyl)pyrazol4yl)3(136trimethylpyrazolo(34b)pyridin4yl)1H124triazole5thione
4(1(2fluorobenzyl)1Hpyrazol4yl)5(136trimethyl1Hpyrazolo(34b)pyridin4yl)4H124triazole3thiol
CC1=NC2=C(C(=NN2C)C)C(=C1)C3=NNC(=S)N3C4=CN(N=C4)CC5=CC=CC=C5F
InChI=1SC21H19FN8Sc112816(1813(2)2728(3)20(18)2412)19252621(31)30(19)1592329(1115)1014645717(14)22h4911H10H213H3(H2631)
MFCD08553276
ZINC000013960978
ZINC13960978

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Available files

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