Vitas-M small molecule compound
2-{[3-cyano-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(diphenylmethyl)acetamide
Catalog ID
STK826783
SMILES N#CC1=C(SCC(=O)NC(c2ccccc2)c2ccccc2)NC2=C(C1c1ccc(cc1)F)C(=O)CCC2
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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 C31H26FN3O2S MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26FN3O2S/c32-23-16-14-20(15-17-23)28-24(18-33)31(34-25-12-7-13-26(36)29(25)28)38-19-27(37)35-30(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,14-17,28,30,34H,7,12-13,19H2,(H,35,37)InChIKey
LAIVUPILMFPMJP-UHFFFAOYSA-NSynonyms
2((3cyano4(4fluorophenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(diphenylmethyl)acetamide
C1CC2=C(C(C(=C(N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C5=CC=C(C=C5)F)C(=O)C1
InChI=1SC31H26FN3O2Sc3223161420(151723)2824(1833)31(34251271326(36)29(25)28)381927(37)3530(218314921)22105261122h168111417283034H7121319H2(H3537)
MFCD03951633
Nbenzhydryl2((3cyano4(4fluorophenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetamide
ZINC000003277160
ZINC000003277163
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