Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL039688
SMILES C[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\[O-])/C(=O)C1=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 C29H29N3O6 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O6/c1-19-16-22(12-13-24(19)38-18-20-8-5-4-6-9-20)27(33)25-26(21-10-7-11-23(17-21)32(36)37)31(15-14-30(2)3)29(35)28(25)34/h4-13,16-17,26,33H,14-15,18H2,1-3H3/b27-25+InChIKey
QSQWIIDRPWAZJG-IMVLJIQESA-NSynonyms
489444-43-1(4E)1(2(dimethylamino)ethyl)4(hydroxy(3methyl4phenylmethoxyphenyl)methylidene)5(3nitrophenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(2(dimethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
489444431
C(NH+)(CCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C(=O)C1=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)OCC4=CC=CC=C4
InChI=1SC29H29N3O6c1191622(121324(19)3818208546920)27(33)2526(211071123(1721)32(36)37)31(151430(2)3)29(35)28(25)34h41316172633H141518H213H3b2725+
MFCD18247879
ZINC000102865363
ZINC000102865367
Check stock
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Check stock on Vitas-MAvailable files
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