Vitas-M small molecule compound

5-(2-chlorophenyl)-4-methyl-2-(piperidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK663518
SMILES Clc1ccccc1c1nn(c(=S)n1C)CN1CCCCC1

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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 C15H19ClN4S MW 322.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19ClN4S/c1-18-14(12-7-3-4-8-13(12)16)17-20(15(18)21)11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKey
FVJWFCLGPGCRLK-UHFFFAOYSA-N
Synonyms

3(2CHLOROPHENYL)4METHYL1(PIPERIDYLMETHYL)124TRIAZOLINE5THIONE
5(2CHLOROPHENYL)4METHYL2(PIPERIDIN1YLMETHYL)124TRIAZOLE3THIONE
5(2chlorophenyl)4methyl2(piperidin1ylmethyl)24dihydro3H124triazole3thione
CN1C(=NN(C1=S)CN2CCCCC2)C3=CC=CC=C3Cl
InChI=1SC15H19ClN4Sc11814(12734813(12)16)1720(15(18)21)111995261019h3478H256911H21H3
MFCD01079912
ZINC000000063547
ZINC63547

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Available files

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