Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Catalog ID
STL147949
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C23H28N2O4S MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O4S/c1-4-24(5-2)13-7-14-25-20(18-8-6-15-30-18)19(22(27)23(25)28)21(26)16-9-11-17(29-3)12-10-16/h6,8-12,15,20,26H,4-5,7,13-14H2,1-3H3/b21-19+InChIKey
BKAPLUOHVNDLAV-XUTLUUPISA-NSynonyms
615275-39-3(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(4Z)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(2THIENYL)3PYRROLIN2ONE
615275393
CC(NH+)(CC)CCCN1C(C(=C(C2=CC=C(C=C2)OC)(O))C(=O)C1=O)C3=CC=CS3
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)(CC)CC)(O)
InChI=1SC23H28N2O4Sc1424(52)137142520(1886153018)19(22(27)23(25)28)21(26)1691117(293)121016h6812152026H4571314H213H3b2119+
MFCD20755299
ZINC000009271000
ZINC000009271002
Check stock
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Check stock on Vitas-MAvailable files
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