Vitas-M small molecule compound
ethyl 4-[2-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK368844
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-5-32-27(31)24-18(2)29-21-15-28(3,4)16-22(30)26(21)25(24)20-13-9-10-14-23(20)33-17-19-11-7-6-8-12-19/h6-14,25,29H,5,15-17H2,1-4H3InChIKey
SLSZWDXRFHRQPW-UHFFFAOYSA-NSynonyms
294197-61-8294197618
CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)C
ethyl277trimethyl5oxo4(2phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
ethyl4(2(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC28H31NO4c153227(31)2418(2)29211528(34)1622(30)26(21)25(24)20139101423(20)331719117681219h6142529H51517H214H3
MFCD00320696
ZINC000019314428
ZINC000019314431
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