Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STL150539
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)C(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 C28H36N2O3 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O3/c1-6-29(7-2)18-11-19-30-24(20-14-16-22(17-15-20)28(3,4)5)23(26(32)27(30)33)25(31)21-12-9-8-10-13-21/h8-10,12-17,24,31H,6-7,11,18-19H2,1-5H3/b25-23+InChIKey
YJYCBCPJCLKPSR-WJTDDFOZSA-NSynonyms
615276-61-4(4E)5(4TERTBUTYLPHENYL)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
1(3(DIETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)3HYDROXY4(PHENYLCARBONYL)3PYRROLIN2ONE
615276614
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccccc2)(O))C1c1ccc(cc1)C(C)(C)C)CC
CCN(CC)CCCN1C(C(=C(C2=CC=CC=C2)O)C(=O)C1=O)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC28H36N2O3c1629(72)1811193024(20141622(171520)28(34)5)23(26(32)27(30)33)25(31)211298101321h81012172431H67111819H215H3b2523+
MFCD20755850
ZINC000009046470
ZINC000009175308
Check stock
See real-time availability and sample size for STL150539 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.