Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorobenzyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK625243
SMILES Clc1ccc(cc1)Cc1n[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 C17H14ClN3O2S MW 359.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O2S/c18-13-4-1-11(2-5-13)8-16-19-20-17(24)21(16)9-12-3-6-14-15(7-12)23-10-22-14/h1-7H,8-10H2,(H,20,24)InChIKey
SWDFFFAOIKPNFM-UHFFFAOYSA-NSynonyms
951931-70-74(13benzodioxol5ylmethyl)3((4chlorophenyl)methyl)1H124triazole5thione
4(13benzodioxol5ylmethyl)5(4chlorobenzyl)24dihydro3H124triazole3thione
951931707
C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)CC4=CC=C(C=C4)Cl
Clc1ccc(cc1)Cc1n(nH)c(=S)n1Cc1ccc2c(c1)OCO2
InChI=1SC17H14ClN3O2Sc18134111(2513)816192017(24)21(16)912361415(712)23102214h17H810H2(H2024)
MFCD18159089
ZINC000013690757
ZINC13690757
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