Vitas-M small molecule compound
(E)-{2-[3-(benzyloxy)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK565097
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)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 C33H31N3O5 MW 549.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O5/c1-22-17-26-18-25(11-12-28(26)41-22)31(37)29-30(36(33(39)32(29)38)15-6-14-35-16-13-34-21-35)24-9-5-10-27(19-24)40-20-23-7-3-2-4-8-23/h2-5,7-13,16,18-19,21-22,30,37H,6,14-15,17,20H2,1H3/b31-29+InChIKey
YFPJOWOUSOIXAS-OWWNRXNESA-NSynonyms
848732-34-3(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(2(3(benzyloxy)phenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
848732343
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=CC=C5)OCC6=CC=CC=C6)O
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CCCn1cc(nH+)c1)(O)
InChI=1SC33H31N3O5c12217261825(111228(26)4122)31(37)2930(36(33(39)32(29)38)15614351613342135)24951027(1924)4020237324823h2571316181921223037H614151720H21H3b3129+
MFCD18244689
ZINC000102532612
ZINC000102648808
Check stock
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Check stock on Vitas-MAvailable files
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