Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK566040
SMILES COc1cccc(c1)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)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 C27H34N2O5 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O5/c1-6-28(7-2)15-16-29-24(20-9-8-10-22(17-20)33-5)23(26(31)27(29)32)25(30)19-11-13-21(14-12-19)34-18(3)4/h8-14,17-18,24,30H,6-7,15-16H2,1-5H3/b25-23+
InChIKey
GQBYANPPXGKYSB-WJTDDFOZSA-N
Synonyms
371139-72-9
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)5(3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)3HYDROXY5(3METHOXYPHENYL)4((4(METHYLETHOXY)PHENYL)CARBONYL)3PYRROLIN2ONE
371139729
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OC(C)C)(O))C(=O)C1=O)C3=CC(=CC=C3)OC
COc1cccc(c1)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC27H34N2O5c1628(72)15162924(20981022(1720)335)23(26(31)27(29)32)25(30)19111321(141219)3418(3)4h81417182430H671516H215H3b2523+
MFCD18244923
ZINC000008838321
ZINC000008904935

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Available files

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