Vitas-M small molecule compound
5-benzyl-4-(3-chloro-2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK441360
SMILES Sc1nnc(n1c1cccc(c1C)Cl)Cc1ccccc1
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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 C16H14ClN3S MW 315.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3S/c1-11-13(17)8-5-9-14(11)20-15(18-19-16(20)21)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,19,21)InChIKey
QSCNEXRCDUIZFN-UHFFFAOYSA-NSynonyms
3benzyl4(3chloro2methylphenyl)1H124triazole5thione
4(3CHLORO2METHYLPHENYL)5BENZYL124TRIAZOLE3THIOL
5benzyl4(3chloro2methylphenyl)4H124triazole3thiol
CC1=C(C=CC=C1Cl)N2C(=NNC2=S)CC3=CC=CC=C3
InChI=1SC16H14ClN3Sc11113(17)85914(11)2015(181916(20)21)10126324712h29H10H21H3(H1921)
MFCD03900465
ZINC000017053586
ZINC17053586
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