Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-6-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK777892
SMILES CSCCc1[nH]c(nc1C)SCC1=C(C(=O)OCC)C(NC(=O)N1)c1ccc2c(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 C22H26N4O5S2 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5S2/c1-4-29-20(27)18-15(10-33-22-23-12(2)14(25-22)7-8-32-3)24-21(28)26-19(18)13-5-6-16-17(9-13)31-11-30-16/h5-6,9,19H,4,7-8,10-11H2,1-3H3,(H,23,25)(H2,24,26,28)InChIKey
LPGVUZWUTISZGS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=NC(=C(N4)C)CCSC
CSCCc1(nH)c(nc1C)SCC1=C(C(=O)OCC)C(NC(=O)N1)c1ccc2c(c1)OCO2
ethyl4(13benzodioxol5yl)6(((4methyl5(2(methylsulfanyl)ethyl)1Himidazol2yl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)6((5METHYL4(2METHYLSULFANYLETHYL)1HIMIDAZOL2YL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC22H26N4O5S2c142920(27)1815(1033222312(2)14(2522)78323)2421(28)2619(18)13561617(913)31113016h56919H4781011H213H3(H2325)(H2242628)
MFCD05855490
ZINC000012412593
ZINC000012412595
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