Vitas-M small molecule compound

3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole

Catalog ID
STK120666
SMILES Cn1c(nnc1COc1ccccc1C)SCc1c(C)cc(cc1C)C(C)(C)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 C24H31N3OS MW 409.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3OS/c1-16-10-8-9-11-21(16)28-14-22-25-26-23(27(22)7)29-15-20-17(2)12-19(13-18(20)3)24(4,5)6/h8-13H,14-15H2,1-7H3
InChIKey
MXSFUMPTLKPDQN-UHFFFAOYSA-N
Synonyms
5548-15-2
(5((4TERTBUTYL26DIMETHYLBENZYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL2METHYLPHENYLETHER
3((4TERTBUTYL26DIMETHYLBENZYL)SULFANYL)4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOLE
3((4TERTBUTYL26DIMETHYLPHENYL)METHYLSULFANYL)4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOLE
5548152
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=C(C=C3C)C(C)(C)C)C
InChI=1SC24H31N3OSc11610891121(16)281422252623(27(22)7)29152017(2)1219(1318(20)3)24(45)6h813H1415H217H3
MFCD04090370
ZINC000002178058
ZINC02178058
ZINC2178058

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Available files

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