Vitas-M small molecule compound

(5Z)-1-(4-bromophenyl)-5-{4-[(2,4-dichlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK171030
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCc1ccc(cc1Cl)Cl)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 C25H16BrCl2IN2O5 MW 702.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrCl2IN2O5/c1-35-21-10-13(9-20(29)22(21)36-12-14-2-5-16(27)11-19(14)28)8-18-23(32)30-25(34)31(24(18)33)17-6-3-15(26)4-7-17/h2-11H,12H2,1H3,(H,30,32,34)/b18-8-
InChIKey
CNNFMTUUPGYVCE-LSCVHKIXSA-N
Synonyms

(5Z)1(4bromophenyl)5((4((24dichlorophenyl)methoxy)3iodo5methoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(4((24DICHLOROBENZYL)OXY)3IODO5METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)I)OCC4=C(C=C(C=C4)Cl)Cl
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCc1ccc(cc1Cl)Cl)I
InChI=1SC25H16BrCl2IN2O5c135211013(920(29)22(21)3612142516(27)1119(14)28)81823(32)3025(34)31(24(18)33)176315(26)4717h211H12H21H3(H303234)b188
MFCD02194883
ZINC000097960572
ZINC97960572

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Available files

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