Vitas-M small molecule compound
5,5'-{[4-(butan-2-yloxy)phenyl]methanediyl}bis[1-(2,4-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione]
Catalog ID
STK187762
SMILES CCC(Oc1ccc(cc1)C(C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C)C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C)C
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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 C35H36N4O5S2 MW 656.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N4O5S2/c1-7-22(6)44-24-12-10-23(11-13-24)27(28-30(40)36-34(45)38(32(28)42)25-14-8-18(2)16-20(25)4)29-31(41)37-35(46)39(33(29)43)26-15-9-19(3)17-21(26)5/h8-17,22,27-29H,7H2,1-6H3,(H,36,40,45)(H,37,41,46)InChIKey
NFASIYHGQJSDJJ-UHFFFAOYSA-NSynonyms
5((4BUTAN2YLOXYPHENYL)(1(24DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YL)METHYL)1(24DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
55((4(BUTAN2YLOXY)PHENYL)METHANEDIYL)BIS(1(24DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE)
CCC(C)OC1=CC=C(C=C1)C(C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)C)C)C4C(=O)NC(=S)N(C4=O)C5=C(C=C(C=C5)C)C
InChI=1SC35H36N4O5S2c1722(6)4424121023(111324)27(2830(40)3634(45)38(32(28)42)2514818(2)1620(25)4)2931(41)3735(46)39(33(29)43)2615919(3)1721(26)5h817222729H7H216H3(H364045)(H374146)
MFCD03923241
ZINC000150348314
ZINC000239164940
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.