Vitas-M small molecule compound
methyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Catalog ID
STK547718
SMILES COC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccccc1C(F)(F)F)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 C27H23F3N4O3S MW 540.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N4O3S/c1-36-26(35)23-21(14-38-25-16(12-31)11-15-7-3-2-4-10-20(15)34-25)37-24(33)18(13-32)22(23)17-8-5-6-9-19(17)27(28,29)30/h5-6,8-9,11,22H,2-4,7,10,14,33H2,1H3InChIKey
VSPKWUILAKQXGM-UHFFFAOYSA-NSynonyms
445384-13-4445384134
COC(=O)C1=C(OC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
InChI=1SC27H23F3N4O3Sc13626(35)2321(14382516(1231)111573241020(15)3425)3724(33)18(1332)22(23)17856919(17)27(2829)30h56891122H247101433H21H3
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(2(trifluoromethyl)phenyl)4Hpyran3carboxylate
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(2(trifluoromethyl)phenyl)4Hpyran3carboxylate
methyl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4(2(trifluoromethyl)phenyl)4Hpyran3carboxylate
MFCD03075990
ZINC000002119061
ZINC000008451191
Check stock
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Check stock on Vitas-MAvailable files
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