Vitas-M small molecule compound
(5E)-5-[3-methoxy-2-(propan-2-yloxy)benzylidene]-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196989
SMILES COc1cccc(c1OC(C)C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1C
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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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-13(2)28-19-15(9-7-11-18(19)27-4)12-16-20(25)23-22(29)24(21(16)26)17-10-6-5-8-14(17)3/h5-13H,1-4H3,(H,23,25,29)/b16-12+InChIKey
YAURVHOLBKCTLV-FOWTUZBSSA-NSynonyms
(5E)5((3METHOXY2PROPAN2YLOXYPHENYL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3METHOXY2(PROPAN2YLOXY)BENZYLIDENE)1(2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(2ISOPROPOXY3METHOXYBENZYLIDENE)1(2METHYLPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=CC=CC=C1N2C(=O)C(=CC3=C(C(=CC=C3)OC)OC(C)C)C(=O)NC2=S
COc1cccc(c1OC(C)C)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1C
InChI=1SC22H22N2O4Sc113(2)281915(971118(19)274)121620(25)2322(29)24(21(16)26)171065814(17)3h513H14H3(H232529)b1612+
MFCD03269952
ZINC000000660531
ZINC00660531
ZINC660531
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