Vitas-M small molecule compound

3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

Catalog ID
STK002639
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)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 C30H35N3OS MW 485.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3OS/c1-29(2,3)23-12-8-21(9-13-23)20-35-28-32-31-27(22-10-14-24(15-11-22)30(4,5)6)33(28)25-16-18-26(34-7)19-17-25/h8-19H,20H2,1-7H3
InChIKey
UKSUVJWVNCMLGL-UHFFFAOYSA-N
Synonyms
499103-28-5
1(5(4(TERTBUTYL)PHENYL)3((4(TERTBUTYL)PHENYL)METHYLTHIO)(124TRIAZOL4YL))4METHOXYBENZENE
3((4(tertbutyl)benzyl)thio)5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazole
3((4TERTBUTYLBENZYL)SULFANYL)5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)5(((4TERTBUTYLPHENYL)METHYL)SULFANYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)5((4TERTBUTYLPHENYL)METHYLSULFANYL)4(4METHOXYPHENYL)124TRIAZOLE
499103285
CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C
COc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC30H35N3OSc129(23)2312821(91323)203528323127(22101424(151122)30(45)6)33(28)25161826(347)191725h819H20H217H3
MFCD03474085
STK002639
ZINC000001741497
ZINC01741497
ZINC1741497

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Available files

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