Vitas-M small molecule compound

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

Catalog ID
STK560265
SMILES C[NH+](CCN1C(c2ccc(cc2)[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/c1-19-17-22(11-14-24(19)38-18-20-7-5-4-6-8-20)27(33)25-26(21-9-12-23(13-10-21)32(36)37)31(16-15-30(2)3)29(35)28(25)34/h4-14,17,26,33H,15-16,18H2,1-3H3/b27-25+
InChIKey
XUCWFWVIUMCWCG-IMVLJIQESA-N
Synonyms
497866-05-4
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(2(dimethylammonio)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
497866054
C(NH+)(CCN1C(c2ccc(cc2)(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)CC(NH+)(C)C)C3=CC=C(C=C3)(N+)(=O)(O))(O))OCC4=CC=CC=C4
InChI=1SC29H29N3O6c1191722(111424(19)3818207546820)27(33)2526(2191223(131021)32(36)37)31(161530(2)3)29(35)28(25)34h414172633H151618H213H3b2725+
MFCD18243489
ZINC000102494531
ZINC000102494540

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Available files

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