Vitas-M small molecule compound

5-[(benzylsulfanyl)methyl]-4-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK440397
SMILES Clc1ccccc1n1c(CSCc2ccccc2)nnc1S

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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 C16H14ClN3S2 MW 347.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3S2/c17-13-8-4-5-9-14(13)20-15(18-19-16(20)21)11-22-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21)
InChIKey
ZHLMMSFAXYPAPF-UHFFFAOYSA-N
Synonyms

3(BENZYLSULFANYLMETHYL)4(2CHLOROPHENYL)1H124TRIAZOLE5THIONE
4(2CHLOROPHENYL)5((PHENYLMETHYLTHIO)METHYL)124TRIAZOLE3THIOL
5((benzylsulfanyl)methyl)4(2chlorophenyl)4H124triazole3thiol
C1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC=CC=C3Cl
InChI=1SC16H14ClN3S2c1713845914(13)2015(181916(20)21)112210126213712h19H1011H2(H1921)
MFCD03946260
ZINC000017072334
ZINC17072334

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Available files

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