Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Catalog ID
STK563701
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccncc2)/[O-])/C1c1ccc(cc1)C(C)(C)C)C
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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 C25H31N3O3 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O3/c1-25(2,3)19-9-7-17(8-10-19)21-20(22(29)18-11-13-26-14-12-18)23(30)24(31)28(21)16-6-15-27(4)5/h7-14,21,29H,6,15-16H2,1-5H3/b22-20+InChIKey
PCRJGUIXOBZLAD-LSDHQDQOSA-NSynonyms
627475-69-8(4E)5(4TERTBUTYLPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)PYRROLIDINE23DIONE
(4Z)5(4TERTBUTYLPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(pyridin4yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)PYRIDIN4YLMETHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)3HYDROXY4(4PYRIDYLCARBONYL)3PYRROLIN2ONE
627475698
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccncc2)(O))C1c1ccc(cc1)C(C)(C)C)C
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CCCN(C)C
InChI=1SC25H31N3O3c125(23)199717(81019)2120(22(29)18111326141218)23(30)24(31)28(21)1661527(4)5h7142129H61516H215H3b2220+
MFCD18244361
ZINC000006620461
ZINC000006620466
Check stock
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Check stock on Vitas-MAvailable files
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