Vitas-M small molecule compound
ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK747506
SMILES CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccc(cc1)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 C27H25ClN4O3S MW 521.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O3S/c1-2-34-27(33)24-22(35-25(31)20(14-30)23(24)16-8-10-19(28)11-9-16)15-36-26-18(13-29)12-17-6-4-3-5-7-21(17)32-26/h8-12,23H,2-7,15,31H2,1H3InChIKey
MTKAAAUEKRVCOB-UHFFFAOYSA-NSynonyms
336180-73-5336180735
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
ethyl6amino4(4chlorophenyl)5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(4chlorophenyl)5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4Hpyran3carboxylate
ethyl6amino4(4chlorophenyl)5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4Hpyran3carboxylate
InChI=1SC27H25ClN4O3Sc123427(33)2422(3525(31)20(1430)23(24)1681019(28)11916)15362618(1329)12176435721(17)3226h81223H271531H21H3
MFCD00742407
ZINC000006089269
ZINC000006089272
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