Vitas-M small molecule compound
5-{4-[(2-chlorobenzyl)oxy]-3-ethoxy-5-iodobenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL416352
SMILES CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCc1ccccc1Cl)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 C20H16ClIN2O4S MW 542.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClIN2O4S/c1-2-27-16-9-11(7-13-18(25)23-20(29)24-19(13)26)8-15(22)17(16)28-10-12-5-3-4-6-14(12)21/h3-9H,2,10H2,1H3,(H2,23,24,25,26,29)InChIKey
UUISMJQNHSIJMF-UHFFFAOYSA-NSynonyms
5((4((2chlorophenyl)methoxy)3ethoxy5iodophenyl)methylidene)2sulfanylidene13diazinane46dione
5(4((2chlorobenzyl)oxy)3ethoxy5iodobenzylidene)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)OCC3=CC=CC=C3Cl
InChI=1SC20H16ClIN2O4Sc122716911(71318(25)2320(29)2419(13)26)815(22)17(16)281012534614(12)21h39H210H21H3(H22324252629)
MFCD01443218
ZINC000100188042
ZINC100188042
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