Vitas-M small molecule compound

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

Catalog ID
STK009223
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-6-29-17-9-7-16(8-10-17)21-20(23(27)30-12-11-28-5)15(2)25-18-13-24(3,4)14-19(26)22(18)21/h7-10,21,25H,6,11-14H2,1-5H3
InChIKey
SVZXGNUAPYDUBS-UHFFFAOYSA-N
Synonyms
6046-15-7
2methoxyethyl4(4ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(4ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
6046157
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC)C
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)C(=O)CC(C2)(C)C
InChI=1SC24H31NO5c1629179716(81017)2120(23(27)301211285)15(2)25181324(34)1419(26)22(18)21h7102125H61114H215H3
MFCD00770959
STK009223
ZINC000004060938
ZINC000004060939

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Available files

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