Vitas-M small molecule compound
methyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL174210
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(cc1Cl)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(26-20(31-15)12-28(2,3)13-21(26)32)16-6-8-22(34-4)17(10-16)14-36-23-9-7-18(30)11-19(23)29/h6-11,25,31H,12-14H2,1-5H3InChIKey
DFKQANPMKPDSLF-UHFFFAOYSA-NSynonyms
445237-01-4445237014
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)Cl)C(=O)OC
InChI=1SC28H29ClFNO5c11524(27(33)355)25(2620(3115)1228(23)1321(26)32)166822(344)17(1016)1436239718(30)1119(23)29h6112531H1214H215H3
methyl4(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02374300
ZINC000000649418
ZINC000002776448
Check stock
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