Vitas-M small molecule compound

4-(2-ethylphenyl)-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173848
SMILES CCc1ccccc1n1c(S)nnc1C1CC1c1ccc(cc1)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 C20H21N3S MW 335.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3S/c1-3-14-6-4-5-7-18(14)23-19(21-22-20(23)24)17-12-16(17)15-10-8-13(2)9-11-15/h4-11,16-17H,3,12H2,1-2H3,(H,22,24)
InChIKey
YYRNPNSRUBJHDG-UHFFFAOYSA-N
Synonyms
828281-41-0
4(2ETHYLPHENYL)3(2(4METHYLPHENYL)CYCLOPROPYL)1H124TRIAZOLE5THIONE
4(2ethylphenyl)5(2(4methylphenyl)cyclopropyl)4H124triazole3thiol
828281410
CCC1=CC=CC=C1N2C(=NNC2=S)C3CC3C4=CC=C(C=C4)C
InChI=1SC20H21N3Sc1314645718(14)2319(212220(23)24)171216(17)1510813(2)91115h4111617H312H212H3(H2224)
MFCD04056406
ZINC000006871114
ZINC000006871118
ZINC02791253
ZINC02791254

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Available files

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