Vitas-M small molecule compound
(E)-(4-methoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK559897
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)CC[NH+]1CCOCC1)/[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 C27H32N2O6 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6/c1-18(2)35-22-10-4-19(5-11-22)24-23(25(30)20-6-8-21(33-3)9-7-20)26(31)27(32)29(24)13-12-28-14-16-34-17-15-28/h4-11,18,24,30H,12-17H2,1-3H3/b25-23+InChIKey
BYQGJRDFMVZHAI-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxyphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXYPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(4PROPAN2YLOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(4(METHYLETHOXY)PHENYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)CC(NH+)1CCOCC1)(O)
InChI=1SC27H32N2O6c118(2)352210419(51122)2423(25(30)206821(333)9720)26(31)27(32)29(24)131228141634171528h411182430H1217H213H3b2523+
MFCD18243395
ZINC000008987971
ZINC000008987975
Check stock
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Check stock on Vitas-MAvailable files
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