Vitas-M small molecule compound
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK826462
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)C(F)(F)F)NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(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 C28H26F3N3O3S MW 541.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26F3N3O3S/c1-27(2)12-21-25(22(35)13-27)24(16-7-9-19(37-3)10-8-16)20(14-32)26(34-21)38-15-23(36)33-18-6-4-5-17(11-18)28(29,30)31/h4-11,24,34H,12-13,15H2,1-3H3,(H,33,36)InChIKey
DXPCNGCWLQOMKE-UHFFFAOYSA-NSynonyms
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC28H26F3N3O3Sc127(2)122125(22(35)1327)24(167919(373)10816)20(1432)26(3421)381523(36)331864517(1118)28(2930)31h4112434H121315H213H3(H3336)
MFCD04218716
ZINC000001113569
ZINC000001113573
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