Vitas-M small molecule compound
(E)-(4-bromophenyl){2-(2-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK560477
SMILES Brc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1Cl)CCCn1cc[nH+]c1)/[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 C23H19BrClN3O3 MW 500.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrClN3O3/c24-16-8-6-15(7-9-16)21(29)19-20(17-4-1-2-5-18(17)25)28(23(31)22(19)30)12-3-11-27-13-10-26-14-27/h1-2,4-10,13-14,20,29H,3,11-12H2/b21-19+InChIKey
APAPPBFGILMTFK-XUTLUUPISA-NSynonyms
488794-28-1(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)5(2CHLOROPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(2(2chlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
488794281
Brc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1Cl)CCCn1cc(nH+)c1)(O)
C1=CC=C(C(=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCN4C=CN=C4)Cl
InChI=1SC23H19BrClN3O3c24168615(7916)21(29)1920(17412518(17)25)28(23(31)22(19)30)12311271310261427h1241013142029H31112H2b2119+
MFCD18243546
ZINC000101062511
ZINC000101062513
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