Vitas-M small molecule compound

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

Catalog ID
STK011454
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-7-11-31-24(28)21-15(3)26-17-13-25(4,5)14-18(27)23(17)22(21)16-9-10-19(30-8-2)20(12-16)29-6/h7,9-10,12,22,26H,1,8,11,13-14H2,2-6H3
InChIKey
SDPHSQLEJSFFSP-UHFFFAOYSA-N
Synonyms
299947-79-8
299947798
C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)C(=O)CC(C2)(C)C
CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC=C)C)OC
InChI=1SC25H31NO5c17113124(28)2115(3)26171325(45)1418(27)23(17)22(21)1691019(3082)20(1216)296h7910122226H18111314H226H3
MFCD00753198
prop2en1yl4(4ethoxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK011454
ZINC000004032167
ZINC000004032168

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Available files

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