Vitas-M small molecule compound
ethyl [(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK720931
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC(C3)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 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(15-10-9-13(2)11-16(15)28-19)20(25)23(21)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3InChIKey
RVZWXYDRXLSYKS-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1C4=CC=CC=C4
ethyl((7methyl4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((7methyl4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((7methyl4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
InChI=1SC21H22N2O3S2c132617(24)122721221918(1510913(2)1116(15)2819)20(25)23(21)147546814h4813H3912H212H3
MFCD02240664
ZINC000000985937
ZINC000000985938
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