Vitas-M small molecule compound
2-phenylethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403258
SMILES Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCc1ccccc1
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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 C29H27NO4S MW 485.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4S/c1-18-26(29(33)34-13-12-19-7-3-2-4-8-19)27(20-9-5-10-22(31)15-20)28-23(30-18)16-21(17-24(28)32)25-11-6-14-35-25/h2-11,14-15,21,27,30-31H,12-13,16-17H2,1H3InChIKey
BPTPOYZFHIFSDT-UHFFFAOYSA-NSynonyms
2phenylethyl4(3hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenylethyl4(3hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)O)C(=O)OCCC5=CC=CC=C5
InChI=1SC29H27NO4Sc11826(29(33)341312197324819)27(20951022(31)1520)2823(3018)1621(1724(28)32)25116143525h211141521273031H12131617H21H3
MFCD03312491
ZINC000001439757
ZINC000100136676
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