Vitas-M small molecule compound
(5E)-3-(4-fluorophenyl)-6-hydroxy-5-[(1-{2-[2-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL045552
SMILES Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2CCOc2ccccc2C(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 C26H24FN3O4 MW 461.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O4/c1-17(2)21-7-3-4-8-23(21)34-15-14-29-13-5-6-20(29)16-22-24(31)28-26(33)30(25(22)32)19-11-9-18(27)10-12-19/h3-13,16-17H,14-15H2,1-2H3,(H,28,31,33)/b22-16+InChIKey
LRHSHLBLYMGDSI-CJLVFECKSA-NSynonyms
578750-04-6(5E)1(4FLUOROPHENYL)5((1(2(2PROPAN2YLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(4fluorophenyl)6hydroxy5((1(2(2(propan2yl)phenoxy)ethyl)1Hpyrrol2yl)methylidene)pyrimidine24(3H5H)dione
578750046
CC(C)C1=CC=CC=C1OCCN2C=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=O)N=C(C(=Cc2cccn2CCOc2ccccc2C(C)C)C1=O)O
InChI=1SC26H24FN3O4c117(2)21734823(21)34151429135620(29)162224(31)2826(33)30(25(22)32)1911918(27)101219h3131617H1415H212H3(H283133)b2216+
MFCD04076276
ZINC000013749108
ZINC13749108
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