Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK565288
SMILES C[NH+](CCCN1C(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 C30H31BrN2O4 MW 563.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31BrN2O4/c1-20-17-23(13-14-25(20)37-19-21-9-5-4-6-10-21)28(34)26-27(22-11-7-12-24(31)18-22)33(30(36)29(26)35)16-8-15-32(2)3/h4-7,9-14,17-18,27,34H,8,15-16,19H2,1-3H3/b28-26+InChIKey
OXLXPOADXUAESZ-BYCLXTJYSA-NSynonyms
(4E)5(3BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
C(NH+)(CCCN1C(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)CCC(NH+)(C)C)C3=CC(=CC=C3)Br)(O))OCC4=CC=CC=C4
InChI=1SC30H31BrN2O4c1201723(131425(20)37192195461021)28(34)2627(221171224(31)1822)33(30(36)29(26)35)1681532(2)3h4791417182734H8151619H213H3b2826+
MFCD18244738
ZINC000102533992
ZINC000102534002
Check stock
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Check stock on Vitas-MAvailable files
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