Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{4-[4-(methylsulfanyl)phenyl]-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl}acetamide
Catalog ID
STL142525
SMILES CSc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)OC2)CC(=O)Nc1ccc2c(c1)OCO2
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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 C22H19N3O6S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O6S/c1-32-14-5-2-12(3-6-14)20-19-15(10-29-21(19)27)25(22(28)24-20)9-18(26)23-13-4-7-16-17(8-13)31-11-30-16/h2-8,20H,9-11H2,1H3,(H,23,26)(H,24,28)InChIKey
UUHIWGMSJCOVND-UHFFFAOYSA-NSynonyms
CSC1=CC=C(C=C1)C2C3=C(COC3=O)N(C(=O)N2)CC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC22H19N3O6Sc132145212(3614)201915(102921(19)27)25(22(28)2420)918(26)2313471617(813)31113016h2820H911H21H3(H2326)(H2428)
MFCD20742158
N(13benzodioxol5yl)2(4(4(methylsulfanyl)phenyl)25dioxo3457tetrahydrofuro(34d)pyrimidin1(2H)yl)acetamide
N(13benzodioxol5yl)2(4(4methylsulfanylphenyl)25dioxo47dihydro3Hfuro(34d)pyrimidin1yl)acetamide
ZINC000071326876
ZINC000071326877
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