Vitas-M small molecule compound

methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK012834
SMILES CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC

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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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-7-29-17-9-8-14(10-18(17)27-5)20-19(22(26)28-6)13(2)24-15-11-23(3,4)12-16(25)21(15)20/h8-10,20,24H,7,11-12H2,1-6H3
InChIKey
RPHPTPVFMSKOSY-UHFFFAOYSA-N
Synonyms
298231-11-5
298231115
CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)OC
CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC
InChI=1SC23H29NO5c1729179814(1018(17)275)2019(22(26)286)13(2)24151123(34)1216(25)21(15)20h8102024H71112H216H3
methyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00753116
STK012834
ZINC000000726483
ZINC000000726484

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Available files

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