Vitas-M small molecule compound

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

Catalog ID
STK391993
SMILES Brc1cccc(c1)CSc1nnc(n1C)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 C20H22BrN3S MW 416.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN3S/c1-20(2,3)16-10-8-15(9-11-16)18-22-23-19(24(18)4)25-13-14-6-5-7-17(21)12-14/h5-12H,13H2,1-4H3
InChIKey
RDPAOGIULLAGKM-UHFFFAOYSA-N
Synonyms
311781-54-1
3((3bromobenzyl)sulfanyl)5(4tertbutylphenyl)4methyl4H124triazole
3((3bromobenzyl)thio)5(4(tertbutyl)phenyl)4methyl4H124triazole
3((3BROMOPHENYL)METHYLSULFANYL)5(4TERTBUTYLPHENYL)4METHYL124TRIAZOLE
311781541
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br
InChI=1SC20H22BrN3Sc120(23)1610815(91116)18222319(24(18)4)25131465717(21)1214h512H13H214H3
MFCD01207065
ZINC000002188544
ZINC02188544
ZINC2188544

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Available files

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