Vitas-M small molecule compound

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

Catalog ID
STK629381
SMILES Clc1ccccc1c1n[nH]c(=S)n1Cc1ccc2c(c1)OCO2

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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 C16H12ClN3O2S MW 345.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O2S/c17-12-4-2-1-3-11(12)15-18-19-16(23)20(15)8-10-5-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2,(H,19,23)
InChIKey
NHPRXPCVEMIQHU-UHFFFAOYSA-N
Synonyms
951950-77-9
4(13benzodioxol5ylmethyl)3(2chlorophenyl)1H124triazole5thione
4(13benzodioxol5ylmethyl)5(2chlorophenyl)24dihydro3H124triazole3thione
951950779
C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC=CC=C4Cl
Clc1ccccc1c1n(nH)c(=S)n1Cc1ccc2c(c1)OCO2
InChI=1SC16H12ClN3O2Sc1712421311(12)15181916(23)20(15)810561314(710)2292113h17H89H2(H1923)
MFCD18159326
ZINC000013690211
ZINC13690211

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Available files

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