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-(thiophen-3-yl)-4H-pyran-3-carboxylate
Catalog ID
STK547226
SMILES CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccsc1)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 C25H24N4O3S2 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S2/c1-2-31-25(30)22-20(32-23(28)18(12-27)21(22)16-8-9-33-13-16)14-34-24-17(11-26)10-15-6-4-3-5-7-19(15)29-24/h8-10,13,21H,2-7,14,28H2,1H3InChIKey
NWDDJXJEFOGXNC-UHFFFAOYSA-NSynonyms
445384-12-3445384123
CCOC(=O)C1=C(OC(=C(C1C2=CSC=C2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
ethyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(thiophen3yl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(thiophen3yl)4Hpyran3carboxylate
ethyl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4thiophen3yl4Hpyran3carboxylate
InChI=1SC25H24N4O3S2c123125(30)2220(3223(28)18(1227)21(22)1689331316)14342417(1126)10156435719(15)2924h8101321H271428H21H3
MFCD03234637
ZINC000008451189
ZINC000008451190
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