Vitas-M small molecule compound
methyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK956018
SMILES COC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1Cl)F)C)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 C26H27ClFNO4S MW 504.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClFNO4S/c1-13-22(25(31)32-5)24(23-18(29-13)10-26(3,4)11-19(23)30)21-8-15(14(2)34-21)12-33-20-7-6-16(28)9-17(20)27/h6-9,24,29H,10-12H2,1-5H3InChIKey
XXBRNBCKXNPGMG-UHFFFAOYSA-NSynonyms
438215-77-1438215771
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(S3)C)COC4=C(C=C(C=C4)F)Cl)C(=O)OC
InChI=1SC26H27ClFNO4Sc11322(25(31)325)24(2318(2913)1026(34)1119(23)30)21815(14(2)3421)1233207616(28)917(20)27h692429H1012H215H3
methyl4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD03312588
ZINC000008441655
ZINC000008441658
Check stock
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