Vitas-M small molecule compound

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

Catalog ID
STK588115
SMILES COc1ccc(cc1)n1c(nnc1COc1ccc(cc1)C)SCc1ccc(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 C28H31N3O2S MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S/c1-20-6-14-25(15-7-20)33-18-26-29-30-27(31(26)23-12-16-24(32-5)17-13-23)34-19-21-8-10-22(11-9-21)28(2,3)4/h6-17H,18-19H2,1-5H3
InChIKey
UHALFABRDKLUKH-UHFFFAOYSA-N
Synonyms
848996-39-4
1((5((4(TERTBUTYL)PHENYL)METHYLTHIO)4(4METHOXYPHENYL)(124TRIAZOL3YL))METHOXY)4METHYLBENZENE
3(((4TERTBUTYLPHENYL)METHYL)SULFANYL)4(4METHOXYPHENYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOLE
3((4(tertbutyl)benzyl)thio)4(4methoxyphenyl)5((ptolyloxy)methyl)4H124triazole
3((4tertbutylbenzyl)sulfanyl)4(4methoxyphenyl)5((4methylphenoxy)methyl)4H124triazole
3((4TERTBUTYLPHENYL)METHYLSULFANYL)4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)124TRIAZOLE
848996394
CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H31N3O2Sc12061425(15720)331826293027(31(26)23121624(325)171323)34192181022(11921)28(23)4h617H1819H215H3
MFCD05679505
ZINC000002447688
ZINC02447688
ZINC2447688

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Available files

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