Vitas-M small molecule compound

benzyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372637
SMILES CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1

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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 C28H31NO3 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO3/c1-5-19-11-13-21(14-12-19)25-24(27(31)32-17-20-9-7-6-8-10-20)18(2)29-22-15-28(3,4)16-23(30)26(22)25/h6-14,25,29H,5,15-17H2,1-4H3
InChIKey
ZTFTZLTWCFXRRA-UHFFFAOYSA-N
Synonyms

benzyl4(4ethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC28H31NO3c1519111321(141219)2524(27(31)32172097681020)18(2)29221528(34)1623(30)26(22)25h6142529H51517H214H3
MFCD00753376
ZINC000000726682
ZINC000000726683

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.