Vitas-M small molecule compound

(5E)-5-[(4-fluorophenyl){[2-(1H-imidazol-5-yl)ethyl]amino}methylidene]-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL440609
SMILES Fc1ccc(cc1)/C(=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)/NCCc1[nH]cnc1

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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 C23H20FN5O3 MW 433.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN5O3/c1-14-2-8-18(9-3-14)29-22(31)19(21(30)28-23(29)32)20(15-4-6-16(24)7-5-15)26-11-10-17-12-25-13-27-17/h2-9,12-13,26H,10-11H2,1H3,(H,25,27)(H,28,30,32)/b20-19+
InChIKey
JFTWOVMBIIEHCJ-FMQUCBEESA-N
Synonyms

(5E)5((4fluorophenyl)((2(1Himidazol5yl)ethyl)amino)methylidene)1(4methylphenyl)pyrimidine246(1H3H5H)trione
(5E)5((4fluorophenyl)(2(1Himidazol5yl)ethylamino)methylidene)1(4methylphenyl)13diazinane246trione
CC1=CC=C(C=C1)N2C(=O)C(=C(C3=CC=C(C=C3)F)NCCC4=CN=CN4)C(=O)NC2=O
Fc1ccc(cc1)C(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)NCCc1(nH)cnc1
InChI=1SC23H20FN5O3c1142818(9314)2922(31)19(21(30)2823(29)32)20(154616(24)7515)261110171225132717h29121326H1011H21H3(H2527)(H283032)b2019+
MFCD08060145
ZINC000025183282
ZINC25183282

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Available files

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