Vitas-M small molecule compound
methyl [2,4-dioxo-3-(2-phenylethyl)-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
Catalog ID
STK579412
SMILES COC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)CCc1ccccc1)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 C22H24N2O4S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S/c1-28-18(25)14-24-21-19(16-10-6-3-7-11-17(16)29-21)20(26)23(22(24)27)13-12-15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-14H2,1H3InChIKey
MLDUQTZBGICTFS-UHFFFAOYSA-NSynonyms
896078-98-1896078981
COC(=O)CN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)CCC4=CC=CC=C4
InChI=1SC22H24N2O4Sc12818(25)14242119(16106371117(16)2921)20(26)23(22(24)27)1312158425915h24589H3671014H21H3
methyl(24dioxo3(2phenylethyl)346789hexahydro2Hcyclohepta(45)thieno(23d)pyrimidin1(5H)yl)acetate
methyl2(24dioxo3(2phenylethyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin1yl)acetate
methyl2(24dioxo3phenethyl23456789octahydro1Hcyclohepta(45)thieno(23d)pyrimidin1yl)acetate
MFCD06592635
ZINC000002438911
ZINC02438911
ZINC2438911
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