Vitas-M small molecule compound
ethyl {4-[5-cyano-3,3-dimethyl-6-(methylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]piperazin-1-yl}acetate
Catalog ID
STL317502
SMILES CCOC(=O)CN1CCN(CC1)c1nc(SC)c(c2c1COC(C2)(C)C)C#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 C20H28N4O3S MW 404.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O3S/c1-5-26-17(25)12-23-6-8-24(9-7-23)18-16-13-27-20(2,3)10-14(16)15(11-21)19(22-18)28-4/h5-10,12-13H2,1-4H3InChIKey
DKFRTUBLUFJZKX-UHFFFAOYSA-NSynonyms
1442079-46-01442079460
CCOC(=O)CN1CCN(CC1)C2=C3COC(CC3=C(C(=N2)SC)C#N)(C)C
ethyl(4(5cyano33dimethyl6(methylsulfanyl)34dihydro1Hpyrano(34c)pyridin8yl)piperazin1yl)acetate
ethyl2(4(5cyano33dimethyl6(methylthio)34dihydro1Hpyrano(34c)pyridin8yl)piperazin1yl)acetate
ethyl2(4(5cyano33dimethyl6methylsulfanyl14dihydropyrano(34c)pyridin8yl)piperazin1yl)acetate
InChI=1SC20H28N4O3Sc152617(25)12236824(9723)1816132720(23)1014(16)15(1121)19(2218)284h5101213H214H3
MFCD28028421
ZINC000095478587
ZINC95478587
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