Vitas-M small molecule compound
cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363715
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCC1
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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 C36H37NO5 MW 563.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37NO5/c1-23-33(36(39)42-28-15-9-10-16-28)34(35-29(37-23)19-27(20-30(35)38)25-13-7-4-8-14-25)26-17-18-31(32(21-26)40-2)41-22-24-11-5-3-6-12-24/h3-8,11-14,17-18,21,27-28,34,37H,9-10,15-16,19-20,22H2,1-2H3InChIKey
NAVVCAFGVXOQBK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)OC6CCCC6
cyclopentyl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
cyclopentyl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
InChI=1SC36H37NO5c12333(36(39)4228159101628)34(3529(3723)1927(2030(35)38)25137481425)26171831(32(2126)402)412224115361224h38111417182127283437H9101516192022H212H3
MFCD00771520
ZINC000100564799
ZINC000100564808
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