Vitas-M small molecule compound

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

Catalog ID
STK372487
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)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 C25H31NO6 MW 441.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO6/c1-8-9-32-24(28)20-14(2)26-16-12-25(3,4)13-17(27)22(16)21(20)15-10-18(29-5)23(31-7)19(11-15)30-6/h8,10-11,21,26H,1,9,12-13H2,2-7H3
InChIKey
JOVBLBVPFDTGNS-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC=C
InChI=1SC25H31NO6c1893224(28)2014(2)26161225(34)1317(27)22(16)21(20)151018(295)23(317)19(1115)306h810112126H191213H227H3
MFCD00717878
prop2en1yl277trimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
prop2enyl277trimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
ZINC000003073702
ZINC000003073703

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Available files

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