Vitas-M small molecule compound

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

Catalog ID
STK588308
SMILES CC(c1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(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 C29H33N3S MW 455.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3S/c1-28(2,3)23-16-12-21(13-17-23)20-33-27-31-30-26(32(27)25-10-8-7-9-11-25)22-14-18-24(19-15-22)29(4,5)6/h7-19H,20H2,1-6H3
InChIKey
VYMOIIIVYQBXAB-UHFFFAOYSA-N
Synonyms
796998-35-1
3((4(tertbutyl)benzyl)thio)5(4(tertbutyl)phenyl)4phenyl4H124triazole
3((4tertbutylbenzyl)sulfanyl)5(4tertbutylphenyl)4phenyl4H124triazole
3(4TERTBUTYLPHENYL)5(((4TERTBUTYLPHENYL)METHYL)SULFANYL)4PHENYL4H124TRIAZOLE
3(4TERTBUTYLPHENYL)5((4TERTBUTYLPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOLE
5(4(TERTBUTYL)PHENYL)3((4(TERTBUTYL)PHENYL)METHYLTHIO)4PHENYL124TRIAZOLE
796998351
CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H33N3Sc128(23)23161221(131723)203327313026(32(27)25108791125)22141824(191522)29(45)6h719H20H216H3
MFCD05378256
ZINC000009307249
ZINC09307249
ZINC9307249

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Available files

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