Vitas-M small molecule compound
ethyl {[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK699345
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCCC3
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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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-3-26-17(24)12-27-21-22-19-18(15-9-4-5-10-16(15)28-19)20(25)23(21)14-8-6-7-13(2)11-14/h6-8,11H,3-5,9-10,12H2,1-2H3InChIKey
ACBMCZGAKKCYFN-UHFFFAOYSA-NSynonyms
59898-82-759898827
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC(=C4)C
ethyl((3(3methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3(3methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((4oxo3(mtolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
InChI=1SC21H22N2O3S2c132617(24)122721221918(159451016(15)2819)20(25)23(21)1486713(2)1114h6811H3591012H212H3
MFCD03284284
ZINC000001300618
ZINC01300618
ZINC1300618
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