Vitas-M small molecule compound
4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Catalog ID
STK561668
SMILES OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1[N+](=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 C21H17ClN2O7 MW 444.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O7/c22-13-9-7-12(8-10-13)19(27)17-18(14-4-1-2-5-15(14)24(30)31)23(21(29)20(17)28)11-3-6-16(25)26/h1-2,4-5,7-10,18,27H,3,6,11H2,(H,25,26)/b19-17+InChIKey
QXKNTHCHHLHZCK-HTXNQAPBSA-NSynonyms
425606-41-34((3E)3((4chlorophenyl)(hydroxy)methylidene)2(2nitrophenyl)45dioxopyrrolidin1yl)butanoicacid
4((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(2NITROPHENYL)45DIOXOPYRROLIDIN1YL)BUTANOICACID
425606413
C1=CC=C(C(=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCC(=O)O)(N+)(=O)(O)
InChI=1SC21H17ClN2O7c22139712(81013)19(27)1718(14412515(14)24(30)31)23(21(29)20(17)28)113616(25)26h12457101827H3611H2(H2526)b1917+
MFCD03806749
OC(=O)CCCN1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccccc1(N+)(=O)(O)
ZINC000009041559
ZINC000009041562
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Check stock on Vitas-MAvailable files
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