Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK559746
SMILES CC(COc1ccc(cc1C)/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)15-35-21-10-9-19(13-17(21)3)24(30)22-23(18-7-6-8-20(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
HBLFDQBUFNTHAZ-ZNTNEXAZSA-NSynonyms
(4E)1(2(dimethylamino)ethyl)4(hydroxy(3methyl4(2methylpropoxy)phenyl)methylidene)5(3nitrophenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CC(NH+)(C)C)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)(N+)(=O)(O))O)OCC(C)C
InChI=1SC26H31N3O6c116(2)15352110919(1317(21)3)24(30)2223(1876820(1418)29(33)34)28(121127(4)5)26(32)25(22)31h6101314162330H111215H215H3b2422+
MFCD18243358
ZINC000102175462
ZINC000102175464
Check stock
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Check stock on Vitas-MAvailable files
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