Vitas-M small molecule compound
methyl 3-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
Catalog ID
STK830739
SMILES COC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC(C3)C(C)(C)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 C24H28N2O3S2 MW 456.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O3S2/c1-24(2,3)15-10-11-17-18(14-15)31-21-20(17)22(28)26(16-8-6-5-7-9-16)23(25-21)30-13-12-19(27)29-4/h5-9,15H,10-14H2,1-4H3InChIKey
SPHXEIWWHKTIJY-UHFFFAOYSA-NSynonyms
312625-88-0312625880
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCC(=O)OC)C4=CC=CC=C4
InChI=1SC24H28N2O3S2c124(23)1510111718(1415)312120(17)22(28)26(168657916)23(2521)30131219(27)294h5915H1014H214H3
methyl3((7(tertbutyl)4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)propanoate
methyl3((7tertbutyl4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl3((7tertbutyl4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)propanoate
MFCD01897828
ZINC000002183459
ZINC000002183460
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