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-fluorophenyl)-4H-pyran-3-carboxylate

Catalog ID
STK547455
SMILES COC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccccc1F)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 C26H23FN4O3S MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN4O3S/c1-33-26(32)23-21(34-24(30)18(13-29)22(23)17-8-5-6-9-19(17)27)14-35-25-16(12-28)11-15-7-3-2-4-10-20(15)31-25/h5-6,8-9,11,22H,2-4,7,10,14,30H2,1H3
InChIKey
FTMQEQPLUWCBKK-UHFFFAOYSA-N
Synonyms
445384-79-2
445384792
COC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
InChI=1SC26H23FN4O3Sc13326(32)2321(3424(30)18(1329)22(23)17856919(17)27)14352516(1228)111573241020(15)3125h56891122H247101430H21H3
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(2fluorophenyl)4Hpyran3carboxylate
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(2fluorophenyl)4Hpyran3carboxylate
methyl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4(2fluorophenyl)4Hpyran3carboxylate
MFCD03076007
ZINC000000663601
ZINC000000663602

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.