Vitas-M small molecule compound

(E)-{2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate

Catalog ID
STL150676
SMILES Brc1cccc(c1)C1N(CCCn2cc[nH+]c2)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2)/[O-]

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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 C25H22BrN5O3 MW 520.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN5O3/c1-16-21(30-11-3-2-8-19(30)28-16)23(32)20-22(17-6-4-7-18(26)14-17)31(25(34)24(20)33)12-5-10-29-13-9-27-15-29/h2-4,6-9,11,13-15,22,32H,5,10,12H2,1H3/b23-20+
InChIKey
PJMDUAMJGZANOS-BSYVCWPDSA-N
Synonyms
630068-81-4
(4E)5(3BROMOPHENYL)4(HYDROXY(2METHYLIMIDAZO(12A)PYRIDIN3YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methylimidazo(12a)pyridin3yl)methanolate
5(3BROMOPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((2METHYL(4HYDROIMIDAZO(12A)PYRIDIN3YL))CARBONYL)3PYRROLIN2ONE
630068814
Brc1cccc(c1)C1N(CCCn2cc(nH+)c2)C(=O)C(=O)C1=C(c1c(C)nc2n1cccc2)(O)
CC1=C(N2C=CC=CC2=N1)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=CC=C5)Br)O
InChI=1SC25H22BrN5O3c11621(301132819(30)2816)23(32)2022(1764718(26)1417)31(25(34)24(20)33)1251029139271529h24691113152232H51012H21H3b2320+
MFCD20755882
ZINC000101101155
ZINC000101101156

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Available files

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