Vitas-M small molecule compound
(5E)-1-(2,5-dimethylphenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK114397
SMILES Cc1ccc(c(c1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)I)/C1=O)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 C17H13IN2O3S MW 452.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13IN2O3S/c1-9-3-4-10(2)13(7-9)20-16(22)12(15(21)19-17(20)24)8-11-5-6-14(18)23-11/h3-8H,1-2H3,(H,19,21,24)/b12-8+InChIKey
GFESNVGYWSOQQF-XYOKQWHBSA-NSynonyms
(5E)1(25DIMETHYLPHENYL)5((5IODOFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(25DIMETHYLPHENYL)5((5IODOFURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=CC=C(O3)I)C(=O)NC2=S
Cc1ccc(c(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)I)C1=O)C
InChI=1SC17H13IN2O3Sc193410(2)13(79)2016(22)12(15(21)1917(20)24)8115614(18)2311h38H12H3(H192124)b128+
MFCD05149552
ZINC000009323227
ZINC09323227
ZINC9323227
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