Vitas-M small molecule compound

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

Catalog ID
STK363282
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)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 C24H29NO5 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO5/c1-6-11-29-23(28)20-14(2)25-18-12-24(4,5)13-19(27)22(18)21(20)16-7-9-17(10-8-16)30-15(3)26/h7-10,21,25H,6,11-13H2,1-5H3
InChIKey
FFYTXOKELSCCKM-UHFFFAOYSA-N
Synonyms
299946-86-4
299946864
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)(C)C)C
InChI=1SC24H29NO5c16112923(28)2014(2)25181224(45)1319(27)22(18)21(20)167917(10816)3015(3)26h7102125H61113H215H3
MFCD00753091
propyl4(4(acetyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4acetyloxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002055211
ZINC000002055212

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Available files

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