Vitas-M small molecule compound
(E)-(4-bromophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL149745
SMILES COc1cccc(c1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C24H22BrN3O4 MW 496.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O4/c1-32-19-5-2-4-17(14-19)21-20(22(29)16-6-8-18(25)9-7-16)23(30)24(31)28(21)12-3-11-27-13-10-26-15-27/h2,4-10,13-15,21,29H,3,11-12H2,1H3/b22-20+InChIKey
YREQCYCAIOXYOY-LSDHQDQOSA-NSynonyms
440096-87-7(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(1(3(1Himidazol3ium1yl)propyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
440096877
COC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCN4C=CN=C4
COc1cccc(c1)C1C(=C(c2ccc(cc2)Br)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC24H22BrN3O4c1321952417(1419)2120(22(29)166818(25)9716)23(30)24(31)28(21)12311271310261527h241013152129H31112H21H3b2220+
MFCD20755666
ZINC000102929970
ZINC000102929972
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