Vitas-M small molecule compound
2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Catalog ID
STK842598
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2CCCc2cc1C#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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-27-19-9-14-6-7-25(12-17(14)10-20(19)28-2)21(26)13-29-22-16(11-23)8-15-4-3-5-18(15)24-22/h8-10H,3-7,12-13H2,1-2H3InChIKey
ZSONPWYIKMWNLF-UHFFFAOYSA-NSynonyms
445383-83-52((2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)67dihydro5Hcyclopenta(b)pyridine3carbonitrile
2((2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)67dihydro5Hcyclopenta(b)pyridine3carbonitrile
2(2(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL67DIHYDRO5HCYCLOPENTA(B)PYRIDINE3CARBONITRILE
445383835
COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(CCC4)C=C3C#N)OC
InChI=1SC22H23N3O3Sc127199146725(1217(14)1020(19)282)21(26)13292216(1123)81543518(15)2422h810H371213H212H3
MFCD03234619
ZINC000000663376
ZINC00663376
ZINC663376
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