Vitas-M small molecule compound
(5E)-1-(4-tert-butylphenyl)-5-{3-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL374948
SMILES CCOc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)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 C30H29FN2O5 MW 516.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN2O5/c1-5-37-26-17-19(10-15-25(26)38-18-20-8-6-7-9-24(20)31)16-23-27(34)32-29(36)33(28(23)35)22-13-11-21(12-14-22)30(2,3)4/h6-17H,5,18H2,1-4H3,(H,32,34,36)/b23-16+InChIKey
SQJVGOBEIZDQLU-XQNSMLJCSA-NSynonyms
(5E)1(4TERTBUTYLPHENYL)5((3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4tertbutylphenyl)5(3ethoxy4((2fluorobenzyl)oxy)benzylidene)pyrimidine246(1H3H5H)trione
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(C)(C)C)OCC4=CC=CC=C4F
CCOc1cc(ccc1OCc1ccccc1F)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)C
InChI=1SC30H29FN2O5c1537261719(101525(26)381820867924(20)31)162327(34)3229(36)33(28(23)35)22131121(121422)30(23)4h617H518H214H3(H323436)b2316+
MFCD02045163
ZINC000006600656
ZINC06600656
ZINC6600656
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