Vitas-M small molecule compound
4-methoxybenzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK037980
SMILES CCOc1cc(ccc1O)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 C27H29NO6 MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6/c1-4-33-23-14-18(10-13-21(23)29)25-24(16(2)28-20-6-5-7-22(30)26(20)25)27(31)34-15-17-8-11-19(32-3)12-9-17/h8-14,25,28-29H,4-7,15H2,1-3H3InChIKey
PGEOLPRAAPPXSP-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)O
CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccc(cc1)OC
InChI=1SC27H29NO6c1433231418(101321(23)29)2524(16(2)282065722(30)26(20)25)27(31)34151781119(323)12917h814252829H4715H213H3
MFCD01445616
STK037980
ZINC000000847623
ZINC000000847624
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