Vitas-M small molecule compound
prop-2-en-1-yl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK076411
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC(C)C)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 C25H31NO4 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO4/c1-7-12-29-24(28)21-16(4)26-18-13-25(5,6)14-19(27)23(18)22(21)17-10-8-9-11-20(17)30-15(2)3/h7-11,15,22,26H,1,12-14H2,2-6H3InChIKey
XCGHYDJAAMSQJU-UHFFFAOYSA-NSynonyms
299947-12-9299947129
C=CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC(C)C)C(=O)CC(C2)(C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC(C)C)C(=O)OCC=C
InChI=1SC25H31NO4c17122924(28)2116(4)26181325(56)1419(27)23(18)22(21)1710891120(17)3015(2)3h711152226H11214H226H3
MFCD00753124
prop2en1yl277trimethyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
prop2enyl277trimethyl5oxo4(2propan2yloxyphenyl)1468tetrahydroquinoline3carboxylate
STK076411
ZINC000002796160
ZINC000019535904
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