Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL039689
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[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 C23H27N3O4 MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4/c1-15-13-17(30-4)8-9-18(15)21(27)19-20(16-7-5-10-24-14-16)26(23(29)22(19)28)12-6-11-25(2)3/h5,7-10,13-14,20,27H,6,11-12H2,1-4H3/b21-19+InChIKey
SWAZLRNZAPGKCG-XUTLUUPISA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CN=CC=C3)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)(C)C)(O)
InChI=1SC23H27N3O4c1151317(304)8918(15)21(27)1920(167510241416)26(23(29)22(19)28)1261125(2)3h571013142027H61112H214H3b2119+
MFCD18247880
ZINC000102865370
ZINC000102865373
Check stock
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