Vitas-M small molecule compound
propan-2-yl 4-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407176
SMILES COc1cc(ccc1OC(C)C)C1C2=C(CCCC2=O)NC(=C1C(=O)OC(C)C)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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-13(2)29-19-11-10-16(12-20(19)28-6)22-21(24(27)30-14(3)4)15(5)25-17-8-7-9-18(26)23(17)22/h10-14,22,25H,7-9H2,1-6H3InChIKey
LRVZFGFURDUUSP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC(C)C)OC)C(=O)OC(C)C
InChI=1SC24H31NO5c113(2)2919111016(1220(19)286)2221(24(27)3014(3)4)15(5)251787918(26)23(17)22h10142225H79H216H3
MFCD07402533
propan2yl4(3methoxy4(propan2yloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3methoxy4propan2yloxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000020568844
ZINC000020568845
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