Vitas-M small molecule compound

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

Catalog ID
STL057596
SMILES Brc1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccc(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 C25H24BrN3S MW 478.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN3S/c1-25(2,3)20-14-12-19(13-15-20)23-27-28-24(29(23)22-10-5-4-6-11-22)30-17-18-8-7-9-21(26)16-18/h4-16H,17H2,1-3H3
InChIKey
WQEADQOSWHGNMF-UHFFFAOYSA-N
Synonyms
861635-84-9
3((3bromobenzyl)sulfanyl)5(4tertbutylphenyl)4phenyl4H124triazole
3((3bromobenzyl)thio)5(4(tertbutyl)phenyl)4phenyl4H124triazole
3((3BROMOPHENYL)METHYLSULFANYL)5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOLE
861635849
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br
InChI=1SC25H24BrN3Sc125(23)20141219(131520)23272824(29(23)22105461122)30171887921(26)1618h416H17H213H3
MFCD05685386
ZINC000009309063
ZINC09309063
ZINC9309063

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Available files

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