Vitas-M small molecule compound
4-methoxybenzyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK009179
SMILES CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccc(cc1)OC
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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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-4-18-8-12-20(13-9-18)25-24(17(2)28-22-6-5-7-23(29)26(22)25)27(30)32-16-19-10-14-21(31-3)15-11-19/h8-15,25,28H,4-7,16H2,1-3H3InChIKey
KIUQBEUCGWSUCI-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(4ethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(4ethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CCC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C
CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccc(cc1)OC
InChI=1SC27H29NO4c141881220(13918)2524(17(2)282265723(29)26(22)25)27(30)321619101421(313)151119h8152528H4716H213H3
MFCD01445656
STK009179
ZINC000000847667
ZINC000000847668
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