Vitas-M small molecule compound
methyl 4-{4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK955849
SMILES COC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1)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 C26H28FNO4S MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28FNO4S/c1-14-22(25(30)31-5)24(23-19(28-14)11-26(3,4)12-20(23)29)21-10-16(15(2)33-21)13-32-18-8-6-17(27)7-9-18/h6-10,24,28H,11-13H2,1-5H3InChIKey
NIYSYLOBMCJLER-UHFFFAOYSA-NSynonyms
438195-73-4438195734
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(S3)C)COC4=CC=C(C=C4)F)C(=O)OC
InChI=1SC26H28FNO4Sc11422(25(30)315)24(2319(2814)1126(34)1220(23)29)211016(15(2)3321)1332188617(27)7918h6102428H1113H215H3
methyl4(4((4fluorophenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((4fluorophenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD03073844
ZINC000006300107
ZINC000006300109
Check stock
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Check stock on Vitas-MAvailable files
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