Vitas-M small molecule compound
methyl 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK069420
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)O)OC)C(=O)CC(C2)(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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c1-11-17(20(25)27-5)18(12-6-7-16(26-4)14(23)8-12)19-13(22-11)9-21(2,3)10-15(19)24/h6-8,18,22-23H,9-10H2,1-5H3InChIKey
JYYPELVLNKVLGT-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)O)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)O)OC)C(=O)CC(C2)(C)C
InChI=1SC21H25NO5c11117(20(25)275)18(126716(264)14(23)812)1913(2211)921(23)1015(19)24h68182223H910H215H3
methyl4(3hydroxy4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3hydroxy4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD01464209
STK069420
ZINC000000628569
ZINC000100231434
Check stock
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Check stock on Vitas-MAvailable files
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