Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197327
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1cc(n(c1C)c1ccncc1)C)c1ccccc1F
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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 C22H17FN4O2S MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN4O2S/c1-13-11-15(14(2)26(13)16-7-9-24-10-8-16)12-17-20(28)25-22(30)27(21(17)29)19-6-4-3-5-18(19)23/h3-12H,1-2H3,(H,25,28,30)/b17-12+InChIKey
BOSYWJXAZOVJPK-SFQUDFHCSA-NSynonyms
431891-93-9(5E)5((25DIMETHYL1(PYRIDIN4YL)1HPYRROL3YL)METHYLIDENE)1(2FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1PYRIDIN4YLPYRROL3YL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
431891939
5((25DIMETHYL1(4PYRIDINYL)1HPYRROL3YL)METHYLENE)1(2FLUOROPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
InChI=1SC22H17FN4O2Sc1131115(14(2)26(13)16792410816)121720(28)2522(30)27(21(17)29)19643518(19)23h312H12H3(H252830)b1712+
MFCD03080952
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)c1ccncc1)C)c1ccccc1F
ZINC000000686253
ZINC00686253
ZINC686253
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.