Vitas-M small molecule compound

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

Catalog ID
STL045111
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[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/c1-16(2)15-35-20-9-10-21(17(3)13-20)24(30)22-23(18-7-6-8-19(14-18)29(33)34)28(12-11-27(4)5)26(32)25(22)31/h6-10,13-14,16,23,30H,11-12,15H2,1-5H3/b24-22+
InChIKey
FJHPIHRQLFFEQV-ZNTNEXAZSA-N
Synonyms
489465-59-0
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4((2METHYL4(2METHYLPROPOXY)PHENYL)CARBONYL)5(3NITROPHENYL)3PYRROLIN2ONE
489465590
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CC(NH+)(C)C)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))(O)
InChI=1SC26H31N3O6c116(2)15352091021(17(3)1320)24(30)2223(1876819(1418)29(33)34)28(121127(4)5)26(32)25(22)31h6101314162330H111215H215H3b2422+
MFCD18248565
ZINC000102169173
ZINC000102169176

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Available files

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