Vitas-M small molecule compound
(E)-[2-(4-ethylphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL050085
SMILES CCc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C33H30N2O4 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O4/c1-3-23-7-9-26(10-8-23)30-29(32(37)33(38)35(30)20-24-15-17-34-18-16-24)31(36)27-11-13-28(14-12-27)39-21-25-6-4-5-22(2)19-25/h4-19,30,36H,3,20-21H2,1-2H3/b31-29+InChIKey
MXJATKNHAQMWNF-OWWNRXNESA-NSynonyms
839702-46-4(4E)5(4ETHYLPHENYL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHYLPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(2(4ethylphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
839702464
CCC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC4=CC=CC(=C4)C)(O))C(=O)C(=O)N2CC5=CC=(NH+)C=C5
CCc1ccc(cc1)C1C(=C(c2ccc(cc2)OCc2cccc(c2)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC33H30N2O4c13237926(10823)3029(32(37)33(38)35(30)2024151734181624)31(36)27111328(141227)39212564522(2)1925h4193036H32021H212H3b3129+
MFCD18249311
ZINC000102886187
ZINC000102886189
Check stock
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Check stock on Vitas-MAvailable files
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