Vitas-M small molecule compound
ethyl [(3-butyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK525092
SMILES CCCCn1c(SCC(=O)OCC)nc2c(c1=O)c1CCCCCc1s2
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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 C19H26N2O3S2 MW 394.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N2O3S2/c1-3-5-11-21-18(23)16-13-9-7-6-8-10-14(13)26-17(16)20-19(21)25-12-15(22)24-4-2/h3-12H2,1-2H3InChIKey
OKMLTOIPHWAUBZ-UHFFFAOYSA-NSynonyms
CCCCN1C(=O)C2=C(N=C1SCC(=O)OCC)SC3=C2CCCCC3
ethyl((3butyl4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3butyl4oxo456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((3butyl4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
InChI=1SC19H26N2O3S2c135112118(23)161397681014(13)2617(16)2019(21)251215(22)2442h312H212H3
MFCD01959079
ZINC000002288414
ZINC02288414
ZINC2288414
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