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-(3-fluorophenyl)-4H-pyran-3-carboxylate
Catalog ID
STL000237
SMILES COC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1cccc(c1)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 C26H23FN4O3S MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN4O3S/c1-33-26(32)23-21(34-24(30)19(13-29)22(23)16-7-5-8-18(27)11-16)14-35-25-17(12-28)10-15-6-3-2-4-9-20(15)31-25/h5,7-8,10-11,22H,2-4,6,9,14,30H2,1H3InChIKey
SWUUCGSGWSKILX-UHFFFAOYSA-NSynonyms
445384-81-6445384816
COC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)F)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
InChI=1SC26H23FN4O3Sc13326(32)2321(3424(30)19(1329)22(23)1675818(27)1116)14352517(1228)10156324920(15)3125h578101122H24691430H21H3
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(3fluorophenyl)4Hpyran3carboxylate
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(3fluorophenyl)4Hpyran3carboxylate
methyl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4(3fluorophenyl)4Hpyran3carboxylate
MFCD03076009
ZINC000000663609
ZINC000000663612
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