Vitas-M small molecule compound
(5E)-3-(4-ethylphenyl)-6-hydroxy-5-[(1-{2-[2-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK562248
SMILES CCc1ccc(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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-4-20-11-13-21(14-12-20)31-27(33)24(26(32)29-28(31)34)18-22-8-7-15-30(22)16-17-35-25-10-6-5-9-23(25)19(2)3/h5-15,18-19H,4,16-17H2,1-3H3,(H,29,32,34)/b24-18+InChIKey
RSMNMIXWGXUVOX-HKOYGPOVSA-NSynonyms
672934-79-1(5E)1(4ETHYLPHENYL)5((1(2(2PROPAN2YLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(4ethylphenyl)6hydroxy5((1(2(2(propan2yl)phenoxy)ethyl)1Hpyrrol2yl)methylidene)pyrimidine24(3H5H)dione
672934791
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3CCOC4=CC=CC=C4C(C)C)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)N=C(C(=Cc2cccn2CCOc2ccccc2C(C)C)C1=O)O
InChI=1SC28H29N3O4c1420111321(141220)3127(33)24(26(32)2928(31)34)1822871530(22)161735251065923(25)19(2)3h5151819H41617H213H3(H293234)b2418+
MFCD04078291
ZINC000002438383
ZINC2438383
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