Vitas-M small molecule compound
(5E)-5-{4-[(2-fluorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188032
SMILES COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)C)cc(c1OCc1ccccc1F)I
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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 C20H16FIN2O4S MW 526.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FIN2O4S/c1-24-19(26)13(18(25)23-20(24)29)7-11-8-15(22)17(16(9-11)27-2)28-10-12-5-3-4-6-14(12)21/h3-9H,10H2,1-2H3,(H,23,25,29)/b13-7+InChIKey
ULJBKCAEFSXCLX-NTUHNPAUSA-NSynonyms
(5E)5((4((2fluorophenyl)methoxy)3iodo5methoxyphenyl)methylidene)1methyl2sulfanylidene13diazinane46dione
(5E)5(4((2FLUOROBENZYL)OXY)3IODO5METHOXYBENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3F)OC)C(=O)NC1=S
COc1cc(C=C2C(=O)NC(=S)N(C2=O)C)cc(c1OCc1ccccc1F)I
InChI=1SC20H16FIN2O4Sc12419(26)13(18(25)2320(24)29)711815(22)17(16(911)272)281012534614(12)21h39H10H212H3(H232529)b137+
MFCD04507020
ZINC000097960908
ZINC97960908
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