Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-ethoxyphenyl)methanolate
Catalog ID
STK561203
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(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 C30H39ClN2O4 MW 527.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39ClN2O4/c1-7-32(8-2)17-10-18-33-26(20-11-14-22(15-12-20)30(4,5)6)25(28(35)29(33)36)27(34)21-13-16-24(37-9-3)23(31)19-21/h11-16,19,26,34H,7-10,17-18H2,1-6H3/b27-25+InChIKey
OMYTVXQYRZJJJG-IMVLJIQESA-NSynonyms
636991-93-0(4E)5(4TERTBUTYLPHENYL)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(3chloro4ethoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4ETHOXYPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636991930
CCN(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)O)C(=O)C1=O)C3=CC=C(C=C3)C(C)(C)C
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)(CC)CC)(O)
InChI=1SC30H39ClN2O4c1732(82)1710183326(20111422(151220)30(45)6)25(28(35)29(33)36)27(34)21131624(3793)23(31)1921h1116192634H7101718H216H3b2725+
MFCD18243728
ZINC000009046148
ZINC000009123735
Check stock
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Check stock on Vitas-MAvailable files
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