Vitas-M small molecule compound
(5E)-3-(4-ethylphenyl)-6-hydroxy-5-{[1-(3-methylbenzyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL046174
SMILES CCc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2Cc2cccc(c2)C)/C1=O)O
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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 C25H23N3O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3/c1-3-18-9-11-20(12-10-18)28-24(30)22(23(29)26-25(28)31)15-21-8-5-13-27(21)16-19-7-4-6-17(2)14-19/h4-15H,3,16H2,1-2H3,(H,26,29,31)/b22-15+InChIKey
SCMYRCYTZIAGSW-PXLXIMEGSA-NSynonyms
672921-43-6(5E)1(4ETHYLPHENYL)5((1((3METHYLPHENYL)METHYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(4ethylphenyl)6hydroxy5((1(3methylbenzyl)1Hpyrrol2yl)methylidene)pyrimidine24(3H5H)dione
672921436
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3CC4=CC=CC(=C4)C)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)N=C(C(=Cc2cccn2Cc2cccc(c2)C)C1=O)O
InChI=1SC25H23N3O3c131891120(121018)2824(30)22(23(29)2625(28)31)1521851327(21)161974617(2)1419h415H316H212H3(H262931)b2215+
MFCD04078020
ZINC000002263231
ZINC2263231
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