Vitas-M small molecule compound
ethyl {[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK993875
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC=C)CCCCC3
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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 C18H22N2O3S2 MW 378.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3S2/c1-3-10-20-17(22)15-12-8-6-5-7-9-13(12)25-16(15)19-18(20)24-11-14(21)23-4-2/h3H,1,4-11H2,2H3InChIKey
LJQGCKBKXBMZCC-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC=C
ethyl((4oxo3(prop2en1yl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((4oxo3prop2enyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
InChI=1SC18H22N2O3S2c13102017(22)15128657913(12)2516(15)1918(20)241114(21)2342h3H1411H22H3
MFCD02085998
ZINC000002183513
ZINC02183513
ZINC2183513
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Check stock on Vitas-MAvailable files
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