Vitas-M small molecule compound
2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402361
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CC(C2)(C)C)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 C33H33NO4 MW 507.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO4/c1-22-29(32(36)37-18-17-23-11-6-4-7-12-23)30(31-27(34-22)20-33(2,3)21-28(31)35)24-13-10-16-26(19-24)38-25-14-8-5-9-15-25/h4-16,19,30,34H,17-18,20-21H2,1-3H3InChIKey
VNCBORQHBGONOR-UHFFFAOYSA-NSynonyms
2phenylethyl277trimethyl5oxo4(3phenoxyphenyl)145678hexahydroquinoline3carboxylate
2phenylethyl277trimethyl5oxo4(3phenoxyphenyl)1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5
InChI=1SC33H33NO4c12229(32(36)37181723116471223)30(3127(3422)2033(23)2128(31)35)2413101626(1924)3825148591525h416193034H17182021H213H3
MFCD01306170
ZINC000019848633
ZINC000019848635
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