Vitas-M small molecule compound
(E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL052444
SMILES CCOc1ccc(cc1)C1N(Cc2cc[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/[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 C33H30N2O5 MW 534.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O5/c1-3-39-27-11-7-25(8-12-27)30-29(32(37)33(38)35(30)20-23-15-17-34-18-16-23)31(36)26-9-13-28(14-10-26)40-21-24-6-4-5-22(2)19-24/h4-19,30,36H,3,20-21H2,1-2H3/b31-29+InChIKey
UNUYQWUPBJAYPZ-OWWNRXNESA-NSynonyms
836631-21-1(4E)5(4ETHOXYPHENYL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(2(4ethoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
836631211
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC4=CC=CC(=C4)C)O)C(=O)C(=O)N2CC5=CC=NC=C5
CCOc1ccc(cc1)C1N(Cc2cc(nH+)cc2)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1cccc(c1)C)(O)
InChI=1SC33H30N2O5c13392711725(81227)3029(32(37)33(38)35(30)2023151734181623)31(36)2691328(141026)40212464522(2)1924h4193036H32021H212H3b3129+
MFCD18249465
ZINC000102889336
ZINC000102889339
Check stock
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Check stock on Vitas-MAvailable files
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