Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK057148
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)C(=O)CC(C2)c1ccc(cc1)OC
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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 C30H35NO5S MW 521.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5S/c1-5-35-24-13-9-21(10-14-24)28-27(30(33)36-15-16-37-6-2)19(3)31-25-17-22(18-26(32)29(25)28)20-7-11-23(34-4)12-8-20/h7-14,22,28,31H,5-6,15-18H2,1-4H3InChIKey
FLTKCNHAFRCLCN-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCCSCC)C
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)C(=O)CC(C2)c1ccc(cc1)OC
InChI=1SC30H35NO5Sc15352413921(101424)2827(30(33)3615163762)19(3)31251722(1826(32)29(25)28)2071123(344)12820h714222831H561518H214H3
MFCD01825212
STK057148
ZINC000009435129
ZINC000009435132
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