Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK570599
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)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 C32H29N3O5 MW 535.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O5/c1-21-17-24-18-23(11-12-27(24)39-21)30(36)28-29(22-7-5-10-26(19-22)40-25-8-3-2-4-9-25)35(32(38)31(28)37)15-6-14-34-16-13-33-20-34/h2-5,7-13,16,18-21,29,36H,6,14-15,17H2,1H3/b30-28+InChIKey
BXQHQUBNEOHPCP-SJCQXOIGSA-NSynonyms
877784-34-4(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
877784344
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=CC=C5)OC6=CC=CC=C6)O
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCCn1cc(nH+)c1)(O)
InChI=1SC32H29N3O5c12117241823(111227(24)3921)30(36)2829(22751026(1922)40258324925)35(32(38)31(28)37)15614341613332034h257131618212936H6141517H21H3b3028+
MFCD18245372
ZINC000102563266
ZINC000102655474
Check stock
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Check stock on Vitas-MAvailable files
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