Vitas-M small molecule compound
4-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK441364
SMILES CC(Cc1nnc(n1c1cccc(c1C)Cl)S)C
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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 C13H16ClN3S MW 281.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClN3S/c1-8(2)7-12-15-16-13(18)17(12)11-6-4-5-10(14)9(11)3/h4-6,8H,7H2,1-3H3,(H,16,18)InChIKey
GVWXCBYHLUIUQC-UHFFFAOYSA-NSynonyms
4(3chloro2methylphenyl)3(2methylpropyl)1H124triazole5thione
4(3CHLORO2METHYLPHENYL)5(2METHYLPROPYL)124TRIAZOLE3THIOL
4(3chloro2methylphenyl)5(2methylpropyl)4H124triazole3thiol
CC1=C(C=CC=C1Cl)N2C(=NNC2=S)CC(C)C
InChI=1SC13H16ClN3Sc18(2)712151613(18)17(12)1164510(14)9(11)3h468H7H213H3(H1618)
MFCD03900469
ZINC000017008717
ZINC17008717
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