Vitas-M small molecule compound

dimethyl 2-[({[3-cyano-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STK885956
SMILES N#CC1=C(SCC(=O)Nc2cc(ccc2C(=O)OC)C(=O)OC)NC2=C(C1c1ccc(cc1)F)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 C28H24FN3O6S MW 549.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24FN3O6S/c1-37-27(35)16-8-11-18(28(36)38-2)21(12-16)31-23(34)14-39-26-19(13-30)24(15-6-9-17(29)10-7-15)25-20(32-26)4-3-5-22(25)33/h6-12,24,32H,3-5,14H2,1-2H3,(H,31,34)
InChIKey
AHWQEEIUWGTPMX-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)F)C#N
dimethyl2((((3cyano4(4fluorophenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
dimethyl2((2((3cyano4(4fluorophenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
InChI=1SC28H24FN3O6Sc13727(35)1681118(28(36)382)21(1216)3123(34)14392619(1330)24(156917(29)10715)2520(3226)43522(25)33h6122432H3514H212H3(H3134)
MFCD03974384
ZINC000002849636
ZINC000002849637

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Available files

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