Vitas-M small molecule compound

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

Catalog ID
STL352384
SMILES Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)Br

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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 C22H18BrN3S MW 436.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3S/c1-16-7-11-18(12-8-16)21-24-25-22(26(21)20-5-3-2-4-6-20)27-15-17-9-13-19(23)14-10-17/h2-14H,15H2,1H3
InChIKey
BGSIWQMFCIFGRT-UHFFFAOYSA-N
Synonyms
849020-17-3
3((4bromobenzyl)sulfanyl)5(4methylphenyl)4phenyl4H124triazole
3((4bromobenzyl)thio)4phenyl5(ptolyl)4H124triazole
3((4BROMOPHENYL)METHYLSULFANYL)5(4METHYLPHENYL)4PHENYL124TRIAZOLE
3((4BROMOPHENYL)METHYLTHIO)5(4METHYLPHENYL)4PHENYL124TRIAZOLE
849020173
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br
InChI=1SC22H18BrN3Sc11671118(12816)21242522(26(21)205324620)27151791319(23)141017h214H15H21H3
MFCD05681139
ZINC000002452981
ZINC02452981
ZINC2452981

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Available files

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