Vitas-M small molecule compound
methyl 4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK956069
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(COc3ccc(cc3C)Cl)c(cc1C)C)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 C28H30ClNO4 MW 480.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO4/c1-15-11-16(2)21(13-19(15)14-34-24-10-9-20(29)12-17(24)3)26-25(28(32)33-5)18(4)30-22-7-6-8-23(31)27(22)26/h9-13,26,30H,6-8,14H2,1-5H3InChIKey
IPVAIALBUVSZMQ-UHFFFAOYSA-NSynonyms
438217-12-0438217120
CC1=CC(=C(C=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)COC4=C(C=C(C=C4)Cl)C)C
InChI=1SC28H30ClNO4c1151116(2)21(1319(15)14342410920(29)1217(24)3)2625(28(32)335)18(4)302276823(31)27(22)26h9132630H6814H215H3
methyl4(5((4chloro2methylphenoxy)methyl)24dimethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5((4chloro2methylphenoxy)methyl)24dimethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03074240
ZINC000008441695
ZINC000008441698
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