Vitas-M small molecule compound
methyl 4-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK084774
SMILES CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-5-33-23-9-7-6-8-20(23)25-24(27(30)32-4)16(2)28-21-14-18(15-22(29)26(21)25)17-10-12-19(31-3)13-11-17/h6-13,18,25,28H,5,14-15H2,1-4H3InChIKey
QVCBBPSWDMDKIL-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC)C
CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC)C
InChI=1SC27H29NO5c153323976820(23)2524(27(30)324)16(2)28211418(1522(29)26(21)25)17101219(313)131117h613182528H51415H214H3
methyl4(2ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02632913
STK084774
ZINC000009679108
ZINC000009679115
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