Vitas-M small molecule compound
2-methoxyethyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK086991
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CC(C2)(C)C
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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-19-25(28(32)34-14-13-33-4)26(27-23(30-19)16-29(2,3)17-24(27)31)21-11-8-12-22(15-21)35-18-20-9-6-5-7-10-20/h5-12,15,26,30H,13-14,16-18H2,1-4H3InChIKey
GFERLEUKPIMZMB-UHFFFAOYSA-NSynonyms
2methoxyethyl277trimethyl5oxo4(3phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
2methoxyethyl4(3(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CC(C2)(C)C
InChI=1SC29H33NO5c11925(28(32)341413334)26(2723(3019)1629(23)1724(27)31)211181222(1521)35182096571020h512152630H13141618H214H3
MFCD02104484
STK086991
ZINC000002774578
ZINC000002774579
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