Vitas-M small molecule compound
(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL038625
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc[nH+]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 C26H24BrN3O5 MW 538.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3O5/c1-4-35-26(34)21-14(2)19(15(3)29-21)23(31)20-22(17-7-9-18(27)10-8-17)30(25(33)24(20)32)13-16-6-5-11-28-12-16/h5-12,22,29,31H,4,13H2,1-3H3/b23-20+InChIKey
ALZWMPGDTSGMPO-BSYVCWPDSA-NSynonyms
844448-64-2(E)(2(4BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(2(4bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
844448642
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)Br)(O))C
ETHYL4((E)(2(4BROMOPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H24BrN3O5c143526(34)2114(2)19(15(3)2921)23(31)2022(177918(27)10817)30(25(33)24(20)32)13166511281216h512222931H413H213H3b2320+
MFCD18247670
ZINC000102861380
ZINC000102861382
Check stock
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Check stock on Vitas-MAvailable files
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