Vitas-M small molecule compound
(E)-{2-[3-(benzyloxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL050413
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1cc[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 C33H28N2O5 MW 532.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O5/c1-21-16-26-17-25(10-11-28(26)40-21)31(36)29-30(35(33(38)32(29)37)19-22-12-14-34-15-13-22)24-8-5-9-27(18-24)39-20-23-6-3-2-4-7-23/h2-15,17-18,21,30,36H,16,19-20H2,1H3/b31-29+InChIKey
INPOPVAHNSDVKQ-OWWNRXNESA-NSynonyms
850802-69-6(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3(benzyloxy)phenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(45DIOXO2(3PHENYLMETHOXYPHENYL)1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
850802696
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC(=CC=C5)OCC6=CC=CC=C6)(O)
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1cc(nH+)cc1)(O)
InChI=1SC33H28N2O5c12116261725(101128(26)4021)31(36)2930(35(33(38)32(29)37)1922121434151322)2485927(1824)3920236324723h2151718213036H161920H21H3b3129+
MFCD18249335
ZINC000102735282
ZINC000102735290
Check stock
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Check stock on Vitas-MAvailable files
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