Vitas-M small molecule compound
ethyl {[3-(4-methoxyphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK831112
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)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 C22H24N2O4S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S2/c1-3-28-18(25)13-29-22-23-20-19(16-7-5-4-6-8-17(16)30-20)21(26)24(22)14-9-11-15(27-2)12-10-14/h9-12H,3-8,13H2,1-2H3InChIKey
IUQWSUDQWHIEQN-UHFFFAOYSA-NSynonyms
351160-18-4351160184
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)OC
ethyl((3(4methoxyphenyl)4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3(4methoxyphenyl)4oxo456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((3(4methoxyphenyl)4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
InChI=1SC22H24N2O4S2c132818(25)132922232019(167546817(16)3020)21(26)24(22)1491115(272)121014h912H3813H212H3
MFCD01875682
ZINC000000755316
ZINC00755316
ZINC755316
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