Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Catalog ID
STL149791
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccncc2)/[O-])/C1c1cccc(c1)[N+](=O)[O-])C
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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 C21H22N4O5 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5/c1-23(2)11-4-12-24-18(15-5-3-6-16(13-15)25(29)30)17(20(27)21(24)28)19(26)14-7-9-22-10-8-14/h3,5-10,13,18,26H,4,11-12H2,1-2H3/b19-17+InChIKey
SVQACIKQBFBAJH-HTXNQAPBSA-NSynonyms
627472-48-4(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(4Z)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(pyridin4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)PYRIDIN4YLMETHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(3NITROPHENYL)4(4PYRIDYLCARBONYL)3PYRROLIN2ONE
627472484
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccncc2)(O))C1c1cccc(c1)(N+)(=O)(O))C
CN(C)CCCN1C(C(=C(C2=CC=NC=C2)O)C(=O)C1=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H22N4O5c123(2)114122418(1553616(1315)25(29)30)17(20(27)21(24)28)19(26)14792210814h3510131826H41112H212H3b1917+
MFCD20755671
ZINC000006787117
ZINC000006812681
Check stock
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Check stock on Vitas-MAvailable files
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