Vitas-M small molecule compound
(5E)-5-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195609
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1cc(n(c1C)c1c(C)cccc1C)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 C25H22FN3O2S MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O2S/c1-14-8-7-9-15(2)22(14)28-16(3)12-18(17(28)4)13-19-23(30)27-25(32)29(24(19)31)21-11-6-5-10-20(21)26/h5-13H,1-4H3,(H,27,30,32)/b19-13+InChIKey
RBTLUAZOUKUVON-CPNJWEJPSA-NSynonyms
(5E)5((1(26DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(2FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(26DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5((1(26DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)1(2FLUOROPHENYL)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F)C
InChI=1SC25H22FN3O2Sc11487915(2)22(14)2816(3)1218(17(28)4)131923(30)2725(32)29(24(19)31)2111651020(21)26h513H14H3(H273032)b1913+
MFCD02777355
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)c1c(C)cccc1C)C)c1ccccc1F
ZINC000009933807
ZINC09933807
ZINC9933807
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.