Vitas-M small molecule compound

ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate

Catalog ID
STK545896
SMILES CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccc(c(c1)Cl)Cl)C#N)N

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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 C27H24Cl2N4O3S MW 555.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N4O3S/c1-2-35-27(34)24-22(14-37-26-17(12-30)10-15-6-4-3-5-7-21(15)33-26)36-25(32)18(13-31)23(24)16-8-9-19(28)20(29)11-16/h8-11,23H,2-7,14,32H2,1H3
InChIKey
JUVYOTXFKKPCIA-UHFFFAOYSA-N
Synonyms
445384-07-6
445384076
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)Cl)Cl)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
ethyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(34dichlorophenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(34dichlorophenyl)4Hpyran3carboxylate
ethyl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4(34dichlorophenyl)4Hpyran3carboxylate
InChI=1SC27H24Cl2N4O3Sc123527(34)2422(14372617(1230)10156435721(15)3326)3625(32)18(1331)23(24)168919(28)20(29)1116h81123H271432H21H3
MFCD03234634
ZINC000008451173
ZINC000008451174

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Available files

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