Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-methoxyphenyl)methanolate
Catalog ID
STK563470
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC[NH+](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 C26H31ClN2O4 MW 471.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN2O4/c1-26(2,3)18-10-7-16(8-11-18)22-21(24(31)25(32)29(22)14-13-28(4)5)23(30)17-9-12-20(33-6)19(27)15-17/h7-12,15,22,30H,13-14H2,1-6H3/b23-21+InChIKey
HHKDCGVSUQFAQS-XTQSDGFTSA-NSynonyms
636992-04-6(4E)5(4TERTBUTYLPHENYL)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(3chloro4methoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4METHOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)5(4(TERTBUTYL)PHENYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636992046
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)(O))C(=O)C(=O)N2CC(NH+)(C)C
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC(NH+)(C)C)(O)
InChI=1SC26H31ClN2O4c126(23)1810716(81118)2221(24(31)25(32)29(22)141328(4)5)23(30)1791220(336)19(27)1517h712152230H1314H216H3b2321+
MFCD18244305
ZINC000009122837
ZINC000009122839
Check stock
See real-time availability and sample size for STK563470 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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