Vitas-M small molecule compound
(E)-{2-[4-(dimethylamino)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL056068
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCCn1c[nH+]cc1)/[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 C33H34N4O4 MW 550.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O4/c1-23-6-4-7-24(20-23)21-41-28-14-10-26(11-15-28)31(38)29-30(25-8-12-27(13-9-25)35(2)3)37(33(40)32(29)39)18-5-17-36-19-16-34-22-36/h4,6-16,19-20,22,30,38H,5,17-18,21H2,1-3H3/b31-29+InChIKey
NZYDLQKSNSPOQO-OWWNRXNESA-NSynonyms
(E)(2(4(dimethylamino)phenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCCn1c(nH+)cc1)(O)
MFCD18249715
ZINC000102895075
ZINC000102895077
Check stock
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Check stock on Vitas-MAvailable files
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