Vitas-M small molecule compound
2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Catalog ID
STK827114
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC2=C(C1c1ccc(cc1)OCc1ccccc1)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 C32H29N3O4S MW 551.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O4S/c1-38-24-16-12-23(13-17-24)34-29(37)20-40-32-26(18-33)30(31-27(35-32)8-5-9-28(31)36)22-10-14-25(15-11-22)39-19-21-6-3-2-4-7-21/h2-4,6-7,10-17,30,35H,5,8-9,19-20H2,1H3,(H,34,37)InChIKey
PVGVSVMLHCHFBF-UHFFFAOYSA-NSynonyms
2((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(4methoxyphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(4methoxyphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(4methoxyphenyl)acetamide
COC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N
InChI=1SC32H29N3O4Sc13824161223(131724)3429(37)20403226(1833)30(3127(3532)85928(31)36)22101425(151122)3919216324721h246710173035H5891920H21H3(H3437)
MFCD02999367
ZINC000101036062
ZINC000101036064
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