Vitas-M small molecule compound

cyclohexyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372341
SMILES CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1)CC

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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 C29H40N2O3 MW 464.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O3/c1-6-31(7-2)21-15-13-20(14-16-21)26-25(28(33)34-22-11-9-8-10-12-22)19(3)30-23-17-29(4,5)18-24(32)27(23)26/h13-16,22,26,30H,6-12,17-18H2,1-5H3
InChIKey
YRSVJHUGLSDJSY-UHFFFAOYSA-N
Synonyms

CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C
cyclohexyl4(4(diethylamino)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(4(diethylamino)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC29H40N2O3c1631(72)21151320(141621)2625(28(33)34221198101222)19(3)30231729(45)1824(32)27(23)26h1316222630H6121718H215H3
MFCD00771006
ZINC000004043937
ZINC000004043938

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Available files

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