Vitas-M small molecule compound
cyclohexyl 4-[2-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK108205
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)(C)C)OC1CCCCC1
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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 C32H37NO4 MW 499.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO4/c1-21-28(31(35)37-23-14-8-5-9-15-23)29(30-25(33-21)18-32(2,3)19-26(30)34)24-16-10-11-17-27(24)36-20-22-12-6-4-7-13-22/h4,6-7,10-13,16-17,23,29,33H,5,8-9,14-15,18-20H2,1-3H3InChIKey
FPHCOVJWPCAUKA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OC5CCCCC5
cyclohexyl277trimethyl5oxo4(2phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
cyclohexyl4(2(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC32H37NO4c12128(31(35)3723148591523)29(3025(3321)1832(23)1926(30)34)241610111727(24)362022126471322h46710131617232933H58914151820H213H3
MFCD00770991
ZINC000002188639
ZINC000002188640
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