Vitas-M small molecule compound

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

Catalog ID
STK585197
SMILES Brc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1ccc(cc1)[NH+](C)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 C26H23BrN2O3 MW 491.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O3/c1-16-4-6-18(7-5-16)24(30)22-23(17-8-10-19(27)11-9-17)29(26(32)25(22)31)21-14-12-20(13-15-21)28(2)3/h4-15,23,30H,1-3H3/b24-22+
InChIKey
ZKQKOQMEVGNRFD-ZNTNEXAZSA-N
Synonyms
498568-22-2
(4E)5(4BROMOPHENYL)1(4DIMETHYLAMINOPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(4(dimethylammonio)phenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(2(4bromophenyl)1(4(dimethylazaniumyl)phenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
498568222
Brc1ccc(cc1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1c1ccc(cc1)(NH+)(C)C
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=C(C=C3)(NH+)(C)C)C4=CC=C(C=C4)Br)(O)
InChI=1SC26H23BrN2O3c1164618(7516)24(30)2223(1781019(27)11917)29(26(32)25(22)31)21141220(131521)28(2)3h4152330H13H3b2422+
MFCD07211956
ZINC000101069791
ZINC000101069793

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Available files

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