Vitas-M small molecule compound
propan-2-yl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Catalog ID
STL333914
SMILES N#Cc1cc2CCCCCc2nc1SCC(=O)CC(=O)OC(C)C
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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 C18H22N2O3S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3S/c1-12(2)23-17(22)9-15(21)11-24-18-14(10-19)8-13-6-4-3-5-7-16(13)20-18/h8,12H,3-7,9,11H2,1-2H3InChIKey
KCAHKDBPSZBWQD-UHFFFAOYSA-NSynonyms
488725-51-54(3CYANO56PENTAMETHYLENE2PYRIDYLTHIO)3OXOBUTYRICACIDISOPROPYLESTER
488725515
CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N
InChI=1SC18H22N2O3Sc112(2)2317(22)915(21)11241814(1019)8136435716(13)2018h812H37911H212H3
isopropyl4((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)3oxobutanoate
MFCD02950756
propan2yl4((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)3oxobutanoate
ZINC000002338117
ZINC02338117
ZINC2338117
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