Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Catalog ID
STK565897
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC[NH+](CC)CC)/[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 C28H36N2O4 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O4/c1-6-29(7-2)17-8-18-30-25(21-11-9-20(10-12-21)19(3)4)24(27(32)28(30)33)26(31)22-13-15-23(34-5)16-14-22/h9-16,19,25,31H,6-8,17-18H2,1-5H3/b26-24+InChIKey
OBDGZVFAWAJKCN-SHHOIMCASA-NSynonyms
608105-45-9(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
608105459
CC(NH+)(CC)CCCN1C(C(=C(C2=CC=C(C=C2)OC)(O))C(=O)C1=O)C3=CC=C(C=C3)C(C)C
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)(CC)CC)(O)
InChI=1SC28H36N2O4c1629(72)178183025(2111920(101221)19(3)4)24(27(32)28(30)33)26(31)22131523(345)161422h916192531H681718H215H3b2624+
MFCD18244893
ZINC000009184863
ZINC000009184865
Check stock
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Check stock on Vitas-MAvailable files
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