Vitas-M small molecule compound
4-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Catalog ID
STK583640
SMILES OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1cccc(c1)[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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c24-16(25)10-5-11-22-18(14-8-4-9-15(12-14)23(29)30)17(20(27)21(22)28)19(26)13-6-2-1-3-7-13/h1-4,6-9,12,18,26H,5,10-11H2,(H,24,25)/b19-17+InChIKey
CZTGSDRZSYNCIU-HTXNQAPBSA-NSynonyms
309724-56-9309724569
4((3E)3(hydroxy(phenyl)methylidene)2(3nitrophenyl)45dioxopyrrolidin1yl)butanoicacid
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=CC(=CC=C3)(N+)(=O)(O))O
InChI=1SC21H18N2O7c2416(25)105112218(1484915(1214)23(29)30)17(20(27)21(22)28)19(26)136213713h1469121826H51011H2(H2425)b1917+
MFCD07202403
OC(=O)CCCN1C(=O)C(=O)C(=C(c2ccccc2)O)C1c1cccc(c1)(N+)(=O)(O)
ZINC000102668917
ZINC000102668920
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