Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK565504
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccc(c1)Br)CC
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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 C26H32BrN3O5 MW 546.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32BrN3O5/c1-6-29(7-2)12-9-13-30-22(17-10-8-11-18(27)14-17)20(24(32)25(30)33)23(31)19-15(3)21(26(34)35-5)28-16(19)4/h8,10-11,14,22,28,31H,6-7,9,12-13H2,1-5H3/b23-20+InChIKey
HTDUCHDXBPBFDT-BSYVCWPDSA-NSynonyms
797798-86-8(E)(2(3bromophenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
797798868
CC(NH+)(CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC(=CC=C3)Br
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1cccc(c1)Br)CC
InChI=1SC26H32BrN3O5c1629(72)129133022(171081118(27)1417)20(24(32)25(30)33)23(31)1915(3)21(26(34)355)2816(19)4h8101114222831H6791213H215H3b2320+
METHYL4((1(3(DIETHYLAMINO)PROPYL)2(3BROMOPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(3BROMOPHENYL)1(3(DIETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244807
ZINC000102535408
ZINC000102535415
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