Vitas-M small molecule compound
(E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL045097
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)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 C25H22BrN3O5 MW 524.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O5/c1-13-18(14(2)28-20(13)25(33)34-3)22(30)19-21(16-7-4-8-17(26)10-16)29(24(32)23(19)31)12-15-6-5-9-27-11-15/h4-11,21,28,30H,12H2,1-3H3/b22-19+InChIKey
DTFJKSUGWLEHGY-ZBJSNUHESA-NSynonyms
797796-72-6(E)(2(3BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(2(3bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
797796726
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)Br)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)Cc1ccc(nH+)c1)(O))C
InChI=1SC25H22BrN3O5c11318(14(2)2820(13)25(33)343)22(30)1921(1674817(26)1016)29(24(32)23(19)31)1215659271115h411212830H12H213H3b2219+
METHYL4((E)(2(3BROMOPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248561
ZINC000102876695
ZINC000102876698
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Check stock on Vitas-MAvailable files
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