Vitas-M small molecule compound
(5E)-5-{4-[(2-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170278
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)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 C27H22ClIN2O5 MW 616.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClIN2O5/c1-15-8-16(2)10-19(9-15)31-26(33)20(25(32)30-27(31)34)11-17-12-22(29)24(23(13-17)35-3)36-14-18-6-4-5-7-21(18)28/h4-13H,14H2,1-3H3,(H,30,32,34)/b20-11+InChIKey
MRCWRYYOCBKSQJ-RGVLZGJSSA-NSynonyms
(5E)5((4((2chlorophenyl)methoxy)3iodo5methoxyphenyl)methylidene)1(35dimethylphenyl)13diazinane246trione
(5E)5(4((2CHLOROBENZYL)OXY)3IODO5METHOXYBENZYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC=C4Cl)OC)C(=O)NC2=O)C
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCc1ccccc1Cl)I
InChI=1SC27H22ClIN2O5c115816(2)1019(915)3126(33)20(25(32)3027(31)34)11171222(29)24(23(1317)353)361418645721(18)28h413H14H213H3(H303234)b2011+
MFCD01610244
ZINC000038216492
ZINC38216492
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