Vitas-M small molecule compound
(5E)-5-[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170700
SMILES C#CCOc1c(Cl)cc(cc1OCC)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
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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 C24H21ClN2O5 MW 452.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O5/c1-5-7-32-21-19(25)12-16(13-20(21)31-6-2)11-18-22(28)26-24(30)27(23(18)29)17-9-14(3)8-15(4)10-17/h1,8-13H,6-7H2,2-4H3,(H,26,28,30)/b18-11+InChIKey
RTAUOYZSBKLGTA-WOJGMQOQSA-NSynonyms
(5E)5((3chloro5ethoxy4prop2ynoxyphenyl)methylidene)1(35dimethylphenyl)13diazinane246trione
(5E)5(3CHLORO5ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C#CCOc1c(Cl)cc(cc1OCC)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)Cl)OCC#C
InChI=1SC24H21ClN2O5c157322119(25)1216(1320(21)3162)111822(28)2624(30)27(23(18)29)17914(3)815(4)1017h1813H67H224H3(H262830)b1811+
MFCD03248649
ZINC000009311098
ZINC09311098
ZINC9311098
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