Vitas-M small molecule compound

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

Catalog ID
STL148199
SMILES C[NH+](CCN1C(c2cccc(c2)Br)/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 C29H29BrN2O4 MW 549.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O4/c1-19-16-22(12-13-24(19)36-18-20-8-5-4-6-9-20)27(33)25-26(21-10-7-11-23(30)17-21)32(15-14-31(2)3)29(35)28(25)34/h4-13,16-17,26,33H,14-15,18H2,1-3H3/b27-25+
InChIKey
SZVODDYMAZPMIZ-IMVLJIQESA-N
Synonyms
500270-43-9
(4E)5(3bromophenyl)1(2(dimethylamino)ethyl)4(hydroxy(3methyl4phenylmethoxyphenyl)methylidene)pyrrolidine23dione
(4E)5(3BROMOPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(3bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
500270439
C(NH+)(CCN1C(c2cccc(c2)Br)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)Br)O)OCC4=CC=CC=C4
InChI=1SC29H29BrN2O4c1191622(121324(19)3618208546920)27(33)2526(211071123(30)1721)32(151431(2)3)29(35)28(25)34h41316172633H141518H213H3b2725+
MFCD20755347
ZINC000102926467
ZINC000102926470

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Available files

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