Vitas-M small molecule compound
methyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK080629
SMILES CCOc1ccc(cc1)C1C2=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/c1-5-33-21-12-8-18(9-13-21)25-24(27(30)32-4)16(2)28-22-14-19(15-23(29)26(22)25)17-6-10-20(31-3)11-7-17/h6-13,19,25,28H,5,14-15H2,1-4H3InChIKey
RNZMNESFGYPHKK-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC)C
CCOc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC)C
InChI=1SC27H29NO5c15332112818(91321)2524(27(30)324)16(2)28221419(1523(29)26(22)25)1761020(313)11717h613192528H51415H214H3
methyl4(4ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01445647
STK080629
ZINC000008440728
ZINC000008440731
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