Vitas-M small molecule compound
methyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363165
SMILES CCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-4-14-32-23-13-9-8-12-20(23)25-24(27(30)31-3)17(2)28-21-15-19(16-22(29)26(21)25)18-10-6-5-7-11-18/h5-13,19,25,28H,4,14-16H2,1-3H3InChIKey
NEPCHUHGUTUJFW-UHFFFAOYSA-NSynonyms
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C
InChI=1SC27H29NO4c1414322313981220(23)2524(27(30)313)17(2)28211519(1622(29)26(21)25)18106571118h513192528H41416H213H3
methyl2methyl5oxo7phenyl4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo7phenyl4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD00614955
ZINC000004060362
ZINC000004060367
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