Vitas-M small molecule compound
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carbonitrile
Catalog ID
STK787035
SMILES N#Cc1c(SCC(=O)c2ccc3c(c2)OCCO3)sc2c1[nH]c(=O)cc2O
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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 C18H12N2O5S2 MW 400.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O5S2/c19-7-10-16-17(11(21)6-15(23)20-16)27-18(10)26-8-12(22)9-1-2-13-14(5-9)25-4-3-24-13/h1-2,5-6H,3-4,8H2,(H2,20,21,23)InChIKey
HQDCBDVAKIHKEQ-UHFFFAOYSA-NSynonyms
2((2(23dihydro14benzodioxin6yl)2oxoethyl)sulfanyl)7hydroxy5oxo45dihydrothieno(32b)pyridine3carbonitrile
2(2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL)SULFANYL5HYDROXY7OXO4HTHIENO(32B)PYRIDINE3CARBONITRILE
2(2(23dihydro14benzodioxin6yl)2oxoethyl)sulfanyl7hydroxy5oxo4Hthieno(32b)pyridine3carbonitrile
C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=C(C4=C(S3)C(=CC(=O)N4)O)C#N
InChI=1SC18H12N2O5S2c197101617(11(21)615(23)2016)2718(10)26812(22)9121314(59)25432413h1256H348H2(H2202123)
MFCD07403607
N#Cc1c(SCC(=O)c2ccc3c(c2)OCCO3)sc2c1(nH)c(=O)cc2O
ZINC000004945731
ZINC4945731
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