Vitas-M small molecule compound
4-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Catalog ID
STL039755
SMILES OC(=O)CCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-13-7-9-14(10-8-13)20(27)18-19(15-4-2-5-16(12-15)24(30)31)23(22(29)21(18)28)11-3-6-17(25)26/h2,4-5,7-10,12,19,27H,3,6,11H2,1H3,(H,25,26)/b20-18+InChIKey
HEOSZYXIQYFGOV-CZIZESTLSA-NSynonyms
425396-53-84((3E)3(hydroxy(4methylphenyl)methylidene)2(3nitrophenyl)45dioxopyrrolidin1yl)butanoicacid
425396538
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=CC(=CC=C3)(N+)(=O)(O))O
InChI=1SC22H20N2O7c1137914(10813)20(27)1819(1542516(1215)24(30)31)23(22(29)21(18)28)113617(25)26h245710121927H3611H21H3(H2526)b2018+
MFCD03814521
OC(=O)CCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(cc2)C)O)C(=O)C1=O
ZINC000102865544
ZINC000102865546
Check stock
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