Vitas-M small molecule compound

2-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-methylquinoxaline

Catalog ID
STK734888
SMILES Cc1nc2ccccc2nc1CSc1nnc(n1c1ccccc1)Cc1ccccc1

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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 C25H21N5S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5S/c1-18-23(27-22-15-9-8-14-21(22)26-18)17-31-25-29-28-24(16-19-10-4-2-5-11-19)30(25)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
InChIKey
JABOOCZCMYYZKS-UHFFFAOYSA-N
Synonyms

2(((5benzyl4phenyl4H124triazol3yl)sulfanyl)methyl)3methylquinoxaline
2((5BENZYL4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)3METHYLQUINOXALINE
CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5
InChI=1SC25H21N5Sc11823(272215981421(22)2618)173125292824(1619104251119)30(25)20126371320h215H1617H21H3
MFCD03821476
ZINC000001060547
ZINC01060547
ZINC1060547

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.