Vitas-M small molecule compound
(5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL044736
SMILES Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2CCOc2c(C)cccc2C)/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 C25H22FN3O4 MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O4/c1-16-5-3-6-17(2)22(16)33-14-13-28-12-4-7-20(28)15-21-23(30)27-25(32)29(24(21)31)19-10-8-18(26)9-11-19/h3-12,15H,13-14H2,1-2H3,(H,27,30,32)/b21-15+InChIKey
BTGIOCBBJNGEEQ-RCCKNPSSSA-NSynonyms
673441-05-9(5E)5((1(2(26dimethylphenoxy)ethyl)1Hpyrrol2yl)methylidene)3(4fluorophenyl)6hydroxypyrimidine24(3H5H)dione
(5E)5((1(2(26DIMETHYLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)1(4FLUOROPHENYL)13DIAZINANE246TRIONE
673441059
CC1=C(C(=CC=C1)C)OCCN2C=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=O)N=C(C(=Cc2cccn2CCOc2c(C)cccc2C)C1=O)O
InChI=1SC25H22FN3O4c11653617(2)22(16)33141328124720(28)152123(30)2725(32)29(24(21)31)1910818(26)91119h31215H1314H212H3(H273032)b2115+
MFCD04071664
ZINC000013749879
ZINC13749879
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