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-(3-methoxyphenyl)acetamide
Catalog ID
STK886636
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)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/c1-38-25-10-5-9-23(17-25)34-29(37)20-40-32-26(18-33)30(31-27(35-32)11-6-12-28(31)36)22-13-15-24(16-14-22)39-19-21-7-3-2-4-8-21/h2-5,7-10,13-17,30,35H,6,11-12,19-20H2,1H3,(H,34,37)InChIKey
WSYHEDADNSFLCH-UHFFFAOYSA-NSynonyms
2((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(3methoxyphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(3methoxyphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(3methoxyphenyl)acetamide
COC1=CC=CC(=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N
InChI=1SC32H29N3O4Sc13825105923(1725)3429(37)20403226(1833)30(3127(3532)1161228(31)36)22131524(161422)3919217324821h2571013173035H611121920H21H3(H3437)
MFCD02999201
ZINC000001322038
ZINC000004727786
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