Vitas-M small molecule compound
ethyl 3-oxo-4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butanoate
Catalog ID
STL079612
SMILES CCOC(=O)CC(=O)CSc1nc2sc3c(c2c(=O)n1CC=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 C19H22N2O4S2 MW 406.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O4S2/c1-3-9-21-18(24)16-13-7-5-6-8-14(13)27-17(16)20-19(21)26-11-12(22)10-15(23)25-4-2/h3H,1,4-11H2,2H3InChIKey
VKMKSOSLFFLKCF-UHFFFAOYSA-NSynonyms
304683-96-3304683963
CCOC(=O)CC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C
ethyl3oxo4((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)butanoate
ethyl3oxo4((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)butanoate
ethyl4((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)3oxobutanoate
InChI=1SC19H22N2O4S2c1392118(24)1613756814(13)2717(16)2019(21)261112(22)1015(23)2542h3H1411H22H3
MFCD01911434
ZINC000001787889
ZINC01787889
ZINC1787889
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