Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK559819
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccc(c1)[N+](=O)[O-])CC
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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 C26H32N4O7 MW 512.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O7/c1-6-28(7-2)12-9-13-29-22(17-10-8-11-18(14-17)30(35)36)20(24(32)25(29)33)23(31)19-15(3)21(26(34)37-5)27-16(19)4/h8,10-11,14,22,27,31H,6-7,9,12-13H2,1-5H3/b23-20+InChIKey
RUOOWTSILGPJSR-BSYVCWPDSA-NSynonyms
797767-24-9(E)(1(3(diethylammonio)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
797767249
CC(NH+)(CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC(=CC=C3)(N+)(=O)(O)
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1cccc(c1)(N+)(=O)(O))CC
InChI=1SC26H32N4O7c1628(72)129132922(171081118(1417)30(35)36)20(24(32)25(29)33)23(31)1915(3)21(26(34)375)2716(19)4h8101114222731H6791213H215H3b2320+
METHYL4((1(3(DIETHYLAMINO)PROPYL)4HYDROXY2(3NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIETHYLAMINO)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243376
ZINC000009184916
ZINC000009184919
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