Vitas-M small molecule compound

2-chloro-5-({[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine

Catalog ID
STK262172
SMILES Clc1ccc(cn1)CSc1nnc(n1C1CCCCC1)c1cccnc1

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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 C19H20ClN5S MW 385.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN5S/c20-17-9-8-14(11-22-17)13-26-19-24-23-18(15-5-4-10-21-12-15)25(19)16-6-2-1-3-7-16/h4-5,8-12,16H,1-3,6-7,13H2
InChIKey
NLOJQQVBNOINLV-UHFFFAOYSA-N
Synonyms

2chloro5(((4cyclohexyl5(pyridin3yl)4H124triazol3yl)sulfanyl)methyl)pyridine
2chloro5((4cyclohexyl5pyridin3yl124triazol3yl)sulfanylmethyl)pyridine
3((6CHLORO(3PYRIDYL))METHYLTHIO)4CYCLOHEXYL5(3PYRIDYL)124TRIAZOLE
C1CCC(CC1)N2C(=NN=C2SCC3=CN=C(C=C3)Cl)C4=CN=CC=C4
InChI=1SC19H20ClN5Sc20179814(112217)132619242318(155410211215)25(19)166213716h4581216H136713H2
MFCD08547504
ZINC000009482232
ZINC09482232
ZINC9482232

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.