Vitas-M small molecule compound
3-(3-{(Z)-[1-(2-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid
Catalog ID
STK163039
SMILES O=C1N/C(=C\c2cc(n(c2C)c2cccc(c2C)C(=O)O)C)/C(=O)N1Cc1ccccc1F
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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/c1-14-11-18(16(3)29(14)22-10-6-8-19(15(22)2)24(31)32)12-21-23(30)28(25(33)27-21)13-17-7-4-5-9-20(17)26/h4-12H,13H2,1-3H3,(H,27,33)(H,31,32)/b21-12-InChIKey
YUQSQDXOHWLRES-MTJSOVHGSA-NSynonyms
3(3((Z)(1((2fluorophenyl)methyl)25dioxoimidazolidin4ylidene)methyl)25dimethylpyrrol1yl)2methylbenzoicacid
3(3((Z)(1(2FLUOROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C3C(=O)N(C(=O)N3)CC4=CC=CC=C4F
InChI=1SC25H22FN3O4c1141118(16(3)29(14)22106819(15(22)2)24(31)32)122123(30)28(25(33)2721)1317745920(17)26h412H13H213H3(H2733)(H3132)b2112
MFCD08674183
O=C1NC(=Cc2cc(n(c2C)c2cccc(c2C)C(=O)O)C)C(=O)N1Cc1ccccc1F
ZINC000014009968
ZINC14009968
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