Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STK569208
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+](C)C)/[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 C26H31N3O6 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O6/c1-17(2)16-35-21-12-8-19(9-13-21)24(30)22-23(18-6-10-20(11-7-18)29(33)34)28(26(32)25(22)31)15-5-14-27(3)4/h6-13,17,23,30H,5,14-16H2,1-4H3/b24-22+
InChIKey
XLMQEYJQOILFHD-ZNTNEXAZSA-N
Synonyms
846594-46-5
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
846594465
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)(N+)(=O)(O))O
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCC(NH+)(C)C)(O))C
InChI=1SC26H31N3O6c117(2)16352112819(91321)24(30)2223(1861020(11718)29(33)34)28(26(32)25(22)31)1551427(3)4h613172330H51416H214H3b2422+
MFCD18245277
ZINC000102169937
ZINC000102169940

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Available files

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