Vitas-M small molecule compound
3'-(benzylsulfanyl)-5'-(butanoylamino)-2',6'-dicyanobiphenyl-4-yl butanoate
Catalog ID
STK767046
SMILES CCCC(=O)Nc1cc(SCc2ccccc2)c(c(c1C#N)c1ccc(cc1)OC(=O)CCC)C#N
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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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-3-8-27(33)32-25-16-26(36-19-20-10-6-5-7-11-20)24(18-31)29(23(25)17-30)21-12-14-22(15-13-21)35-28(34)9-4-2/h5-7,10-16H,3-4,8-9,19H2,1-2H3,(H,32,33)InChIKey
RAPSXNAZQFSNJK-UHFFFAOYSA-NSynonyms
(4(3BENZYLSULFANYL5(BUTANOYLAMINO)26DICYANOPHENYL)PHENYL)BUTANOATE
3(benzylsulfanyl)5(butanoylamino)26dicyanobiphenyl4ylbutanoate
CCCC(=O)NC1=CC(=C(C(=C1C#N)C2=CC=C(C=C2)OC(=O)CCC)C#N)SCC3=CC=CC=C3
InChI=1SC29H27N3O3Sc13827(33)32251626(361920106571120)24(1831)29(23(25)1730)21121422(151321)3528(34)942h571016H348919H212H3(H3233)
MFCD03036574
ZINC000003618000
ZINC03618000
ZINC3618000
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