Vitas-M small molecule compound

3-hydroxy-1-(2-hydroxyethyl)-5-(2-nitrophenyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STL001261
SMILES OCCN1C(=O)C(=C(C1c1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccccc1)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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c24-13-12-22-19(15-8-4-5-9-16(15)23(28)29)18(20(26)21(22)27)17(25)11-10-14-6-2-1-3-7-14/h1-11,19,24,26H,12-13H2/b11-10+
InChIKey
VGDWKYIHTBOPOS-ZHACJKMWSA-N
Synonyms
333776-91-3
333776913
3hydroxy1(2hydroxyethyl)5(2nitrophenyl)4((2E)3phenylprop2enoyl)15dihydro2Hpyrrol2one
4cinnamoyl3hydroxy1(2hydroxyethyl)5(2nitrophenyl)1Hpyrrol2(5H)one
4HYDROXY1(2HYDROXYETHYL)2(2NITROPHENYL)3((E)3PHENYLPROP2ENOYL)2HPYRROL5ONE
C1=CC=C(C=C1)C=CC(=O)C2=C(C(=O)N(C2C3=CC=CC=C3(N+)(=O)(O))CCO)O
InChI=1SC21H18N2O6c2413122219(15845916(15)23(28)29)18(20(26)21(22)27)17(25)1110146213714h111192426H1213H2b1110+
MFCD02042933
OCCN1C(=O)C(=C(C1c1ccccc1(N+)(=O)(O))C(=O)C=Cc1ccccc1)O
ZINC000000847029
ZINC000000847031

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Available files

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