Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189468
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)F)N2CCCC2)/C1=O
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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 C23H22FN3O2S MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O2S/c1-14-9-15(2)11-17(10-14)27-22(29)18(21(28)25-23(27)30)12-16-5-6-20(19(24)13-16)26-7-3-4-8-26/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,25,28,30)/b18-12+InChIKey
XVOKOBVFMBKZKJ-LDADJPATSA-NSynonyms
(5E)1(35DIMETHYLPHENYL)5((3FLUORO4PYRROLIDIN1YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(35DIMETHYLPHENYL)5(3FLUORO4(PYRROLIDIN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)F)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)F)N2CCCC2)C1=O
InChI=1SC23H22FN3O2Sc114915(2)1117(1014)2722(29)18(21(28)2523(27)30)12165620(19(24)1316)26734826h56913H3478H212H3(H252830)b1812+
MFCD03994170
ZINC000001131229
ZINC01131229
ZINC1131229
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