Vitas-M small molecule compound
(5E)-5-{4-[(2-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK172528
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)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 C26H20ClIN2O5 MW 602.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClIN2O5/c1-15-7-9-18(10-8-15)30-25(32)19(24(31)29-26(30)33)11-16-12-21(28)23(22(13-16)34-2)35-14-17-5-3-4-6-20(17)27/h3-13H,14H2,1-2H3,(H,29,31,33)/b19-11+InChIKey
BDCOLBZSFYOJEX-YBFXNURJSA-NSynonyms
(5E)5((4((2CHLOROPHENYL)METHOXY)3IODO5METHOXYPHENYL)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
(5E)5(4((2CHLOROBENZYL)OXY)3IODO5METHOXYBENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC=C4Cl)OC)C(=O)NC2=O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCc1ccccc1Cl)I
InChI=1SC26H20ClIN2O5c1157918(10815)3025(32)19(24(31)2926(30)33)11161221(28)23(22(1316)342)351417534620(17)27h313H14H212H3(H293133)b1911+
MFCD01610486
ZINC000100192916
ZINC100192916
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