Vitas-M small molecule compound
(5E)-5-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK566560
SMILES Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2CCOc2ccc(cc2)C(C)(C)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 C27H26FN3O4 MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O4/c1-27(2,3)18-6-12-22(13-7-18)35-16-15-30-14-4-5-21(30)17-23-24(32)29-26(34)31(25(23)33)20-10-8-19(28)9-11-20/h4-14,17H,15-16H2,1-3H3,(H,29,32,34)/b23-17+InChIKey
PWQRSJIIJWOTIR-HAVVHWLPSA-NSynonyms
674352-89-7(5E)5((1(2(4tertbutylphenoxy)ethyl)1Hpyrrol2yl)methylidene)3(4fluorophenyl)6hydroxypyrimidine24(3H5H)dione
(5E)5((1(2(4TERTBUTYLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)1(4FLUOROPHENYL)13DIAZINANE246TRIONE
674352897
CC(C)(C)C1=CC=C(C=C1)OCCN2C=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=O)N=C(C(=Cc2cccn2CCOc2ccc(cc2)C(C)(C)C)C1=O)O
InChI=1SC27H26FN3O4c127(23)1861222(13718)35161530144521(30)172324(32)2926(34)31(25(23)33)2010819(28)91120h41417H1516H213H3(H293234)b2317+
MFCD04073041
ZINC000002262962
ZINC2262962
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