Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-4H-pyran-3-carboxylate
Catalog ID
STL323636
SMILES CCOC(=O)C1=C(CSc2nc3CCCc3cc2C#N)OC(=C(C1c1ccccc1C)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 C26H24N4O3S MW 472.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3S/c1-3-32-26(31)23-21(14-34-25-17(12-27)11-16-8-6-10-20(16)30-25)33-24(29)19(13-28)22(23)18-9-5-4-7-15(18)2/h4-5,7,9,11,22H,3,6,8,10,14,29H2,1-2H3InChIKey
GGBPSNBVEQVBET-UHFFFAOYSA-NSynonyms
329741-05-1329741051
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2C)C#N)N)CSC3=NC4=C(CCC4)C=C3C#N
ethyl6amino5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)methyl)4(2methylphenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)methyl)4(otolyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYLMETHYL)4(2METHYLPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC26H24N4O3Sc133226(31)2321(14342517(1227)1116861020(16)3025)3324(29)19(1328)22(23)18954715(18)2h45791122H368101429H212H3
MFCD00742408
ZINC000008934358
ZINC000008934359
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