Vitas-M small molecule compound

methyl 4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STL173745
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(c(c1)Cl)F)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 C28H29ClFNO5 MW 513.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClFNO5/c1-15-24(27(33)35-5)25(26-21(31-15)12-28(2,3)13-22(26)32)16-6-9-23(34-4)17(10-16)14-36-18-7-8-20(30)19(29)11-18/h6-11,25,31H,12-14H2,1-5H3
InChIKey
ORXKFILONVNSBH-UHFFFAOYSA-N
Synonyms
445033-12-5
445033125
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COC4=CC(=C(C=C4)F)Cl)C(=O)OC
InChI=1SC28H29ClFNO5c11524(27(33)355)25(2621(3115)1228(23)1322(26)32)166923(344)17(1016)1436187820(30)19(29)1118h6112531H1214H215H3
methyl4(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02243814
ZINC000000648696
ZINC000000648699

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Available files

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