Vitas-M small molecule compound

propan-2-yl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372283
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)(C)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 C23H29NO3 MW 367.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO3/c1-13(2)27-22(26)19-15(4)24-17-11-23(5,6)12-18(25)21(17)20(19)16-9-7-14(3)8-10-16/h7-10,13,20,24H,11-12H2,1-6H3
InChIKey
HFOTUSIFRRYRLZ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC(C)C)C
InChI=1SC23H29NO3c113(2)2722(26)1915(4)24171123(56)1218(25)21(17)20(19)169714(3)81016h710132024H1112H216H3
MFCD00753139
propan2yl277trimethyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl277trimethyl4(4methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
ZINC000000726599
ZINC000000726600

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Available files

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