Vitas-M small molecule compound
benzyl 4-(2-ethoxyphenyl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406068
SMILES CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccco1)C(=O)OCc1ccccc1
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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 C30H29NO5 MW 483.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO5/c1-3-34-26-13-8-7-12-22(26)28-27(30(33)36-18-20-10-5-4-6-11-20)19(2)31-23-16-21(17-24(32)29(23)28)25-14-9-15-35-25/h4-15,21,28,31H,3,16-18H2,1-2H3InChIKey
BMTWDQARBLWGBO-UHFFFAOYSA-NSynonyms
benzyl4(2ethoxyphenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(2ethoxyphenyl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CO4)NC(=C2C(=O)OCC5=CC=CC=C5)C
InChI=1SC30H29NO5c13342613871222(26)2827(30(33)361820105461120)19(2)31231621(1724(32)29(23)28)25149153525h415212831H31618H212H3
MFCD04216354
ZINC000016294088
ZINC000016294094
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