Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL045557
SMILES Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C27H29N3O3 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3/c1-18(2)20-9-11-21(12-10-20)24-23(25(31)22-7-5-19(3)6-8-22)26(32)27(33)30(24)15-4-14-29-16-13-28-17-29/h5-13,16-18,24,31H,4,14-15H2,1-3H3/b25-23+InChIKey
VRNCCTZLJRPATN-WJTDDFOZSA-NSynonyms
384374-57-6(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4methylphenyl)methanolate
384374576
3HYDROXY1(3IMIDAZOLYLPROPYL)5(4(METHYLETHYL)PHENYL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)C(C)C)O
Cc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1cc(nH+)c1)(O)
InChI=1SC27H29N3O3c118(2)2091121(121020)2423(25(31)227519(3)6822)26(32)27(33)30(24)15414291613281729h51316182431H41415H213H3b2523+
MFCD18248661
ZINC000102877681
ZINC000102877684
Check stock
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Check stock on Vitas-MAvailable files
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