Vitas-M small molecule compound
prop-2-en-1-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372630
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)C(=O)CCC2
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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 C21H22ClNO5 MW 403.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO5/c1-4-8-28-21(26)17-11(2)23-14-6-5-7-15(24)19(14)18(17)12-9-13(22)20(25)16(10-12)27-3/h4,9-10,18,23,25H,1,5-8H2,2-3H3InChIKey
WRWLWXWPUJIZLO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCC=C
InChI=1SC21H22ClNO5c1482821(26)1711(2)231465715(24)19(14)18(17)12913(22)20(25)16(1012)273h4910182325H158H223H3
MFCD00753347
prop2en1yl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000003094448
ZINC000022611946
Check stock
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Check stock on Vitas-MAvailable files
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