Vitas-M small molecule compound
5-[3-(4-chloro-2-methylphenoxy)propyl]-4-(3-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK443610
SMILES Clc1ccc(c(c1)C)OCCCc1nnc(n1c1ccc(c(c1)Cl)C)S
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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 C19H19Cl2N3OS MW 408.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19Cl2N3OS/c1-12-5-7-15(11-16(12)21)24-18(22-23-19(24)26)4-3-9-25-17-8-6-14(20)10-13(17)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,26)InChIKey
HSXCCXNQBSHEKY-UHFFFAOYSA-NSynonyms
3(3(4chloro2methylphenoxy)propyl)4(3chloro4methylphenyl)1H124triazole5thione
4(3CHLORO4METHYLPHENYL)5(3(4CHLORO2METHYLPHENOXY)PROPYL)124TRIAZOLE3THIOL
5(3(4chloro2methylphenoxy)propyl)4(3chloro4methylphenyl)4H124triazole3thiol
CC1=C(C=C(C=C1)N2C(=NNC2=S)CCCOC3=C(C=C(C=C3)Cl)C)Cl
InChI=1SC19H19Cl2N3OSc1125715(1116(12)21)2418(222319(24)26)43925178614(20)1013(17)2h581011H349H212H3(H2326)
MFCD04054866
ZINC000006401122
ZINC06401122
ZINC6401122
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