Vitas-M small molecule compound
4-{3-[(E)-{1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK209884
SMILES O=C(CN1C(=O)N/C(=C/c2cc(n(c2C)c2ccc(cc2)C(=O)O)C)/C1=O)Nc1ccc2c(c1)OCO2
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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 C26H22N4O7 MW 502.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O7/c1-14-9-17(15(2)30(14)19-6-3-16(4-7-19)25(33)34)10-20-24(32)29(26(35)28-20)12-23(31)27-18-5-8-21-22(11-18)37-13-36-21/h3-11H,12-13H2,1-2H3,(H,27,31)(H,28,35)(H,33,34)/b20-10+InChIKey
HGZBPLFHYHYWCJ-KEBDBYFISA-NSynonyms
4(3((E)(1(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
4(3((E)(1(2(13benzodioxol5ylamino)2oxoethyl)25dioxoimidazolidin4ylidene)methyl)25dimethylpyrrol1yl)benzoicacid
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)N(C(=O)N3)CC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC26H22N4O7c114917(15(2)30(14)196316(4719)25(33)34)102024(32)29(26(35)2820)1223(31)2718582122(1118)37133621h311H1213H212H3(H2731)(H2835)(H3334)b2010+
MFCD07437682
O=C(CN1C(=O)NC(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)O)C)C1=O)Nc1ccc2c(c1)OCO2
ZINC000009235928
ZINC9235928
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.