Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564005
SMILES C[NH+](CCCN1C(c2cccc(c2)Br)/C(=C(/c2ccc(cc2C)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/c1-20-17-24(37-19-21-9-5-4-6-10-21)13-14-25(20)28(34)26-27(22-11-7-12-23(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
MJFKREJTFGCNFB-BYCLXTJYSA-NSynonyms
(4E)5(3BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
C(NH+)(CCCN1C(c2cccc(c2)Br)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC(=CC=C4)Br)O
InChI=1SC30H31BrN2O4c1201724(37192195461021)131425(20)28(34)2627(221171223(31)1822)33(30(36)29(26)35)1681532(2)3h4791417182734H8151619H213H3b2826+
MFCD18244437
ZINC000102525114
ZINC000102525119
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.