Vitas-M small molecule compound

5-[3-(4-chloro-2-methylphenoxy)propyl]-4-(5-chloro-2-methylphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK443739
SMILES Clc1ccc(c(c1)C)OCCCc1nnc(n1c1cc(Cl)ccc1C)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/c1-12-5-6-15(21)11-16(12)24-18(22-23-19(24)26)4-3-9-25-17-8-7-14(20)10-13(17)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,26)
InChIKey
LMXKWJKKOBJPFC-UHFFFAOYSA-N
Synonyms

3(3(4chloro2methylphenoxy)propyl)4(5chloro2methylphenyl)1H124triazole5thione
4(5CHLORO2METHYLPHENYL)5(3(4CHLORO2METHYLPHENOXY)PROPYL)124TRIAZOLE3THIOL
5(3(4chloro2methylphenoxy)propyl)4(5chloro2methylphenyl)4H124triazole3thiol
CC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)CCCOC3=C(C=C(C=C3)Cl)C
InChI=1SC19H19Cl2N3OSc1125615(21)1116(12)2418(222319(24)26)43925178714(20)1013(17)2h581011H349H212H3(H2326)
MFCD04054964
ZINC000006401153
ZINC06401153
ZINC6401153

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Available files

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