Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK564522
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC(C)C)/[O-])/C1c1ccc(cc1)C(C)C)CC
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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 C29H38N2O4 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O4/c1-7-30(8-2)17-18-31-26(22-11-9-21(10-12-22)19(3)4)25(28(33)29(31)34)27(32)23-13-15-24(16-14-23)35-20(5)6/h9-16,19-20,26,32H,7-8,17-18H2,1-6H3/b27-25+InChIKey
CTGZMSCIJNBIOC-IMVLJIQESA-NSynonyms
371216-91-0(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)3HYDROXY4((4(METHYLETHOXY)PHENYL)CARBONYL)5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
371216910
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OC(C)C)(O))C(=O)C1=O)C3=CC=C(C=C3)C(C)C
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2)OC(C)C)(O))C1c1ccc(cc1)C(C)C)CC
InChI=1SC29H38N2O4c1730(82)17183126(2211921(101222)19(3)4)25(28(33)29(31)34)27(32)23131524(161423)3520(5)6h91619202632H781718H216H3b2725+
MFCD18244556
ZINC000009046272
ZINC000009123758
Check stock
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Check stock on Vitas-MAvailable files
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