Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK560555
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2C)OCc2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccc(cc1)C(C)(C)C
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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 C35H40N2O5 MW 568.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O5/c1-24-22-28(42-23-25-8-6-5-7-9-25)14-15-29(24)32(38)30-31(26-10-12-27(13-11-26)35(2,3)4)37(34(40)33(30)39)17-16-36-18-20-41-21-19-36/h5-15,22,31,38H,16-21,23H2,1-4H3/b32-30+InChIKey
KYXNLJLLQHZULP-NHQGMKOOSA-NSynonyms
(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4TERTBUTYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4tertbutylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
4(4(BENZYLOXY)2METHYLBENZOYL)5(4(TERTBUTYL)PHENYL)3HYDROXY1(2MORPHOLINOETHYL)1HPYRROL2(5H)ONE
4(4(BENZYLOXY)2METHYLBENZOYL)5(4TERTBUTYLPHENYL)3HYDROXY1(2(4MORPHOLINYL)ETHYL)15DIHYDRO2HPYRROL2ONE
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=C(C=C5)C(C)(C)C)(O)
InChI=1SC35H40N2O5c1242228(4223258657925)141529(24)32(38)3031(26101227(131126)35(23)4)37(34(40)33(30)39)171636182041211936h515223138H162123H214H3b3230+
MFCD18243566
O=C1C(=O)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(N1CC(NH+)1CCOCC1)c1ccc(cc1)C(C)(C)C
ZINC000102496958
ZINC000102496970
Check stock
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