Vitas-M small molecule compound
2-methoxyethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK099323
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)c1ccccc1
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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 C27H26ClNO6 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO6/c1-15-24(27(31)33-9-8-32-2)25(18-12-22-23(13-19(18)28)35-14-34-22)26-20(29-15)10-17(11-21(26)30)16-6-4-3-5-7-16/h3-7,12-13,17,25,29H,8-11,14H2,1-2H3InChIKey
IRCOOKZKVZAVDN-UHFFFAOYSA-NSynonyms
2methoxyethyl4(6chloro13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2methoxyethyl4(6chloro13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)c1ccccc1
InChI=1SC27H26ClNO6c11524(27(31)3398322)25(18122223(1319(18)28)35143422)2620(2915)1017(1121(26)30)166435716h371213172529H81114H212H3
MFCD00771453
STK099323
ZINC000002776204
ZINC000003098507
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