Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL528461
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CC[NH+](C)C)/[O-])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 C25H31N3O4 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4/c1-16(2)15-32-20-9-8-18(13-17(20)3)23(29)21-22(19-7-6-10-26-14-19)28(12-11-27(4)5)25(31)24(21)30/h6-10,13-14,16,22,29H,11-12,15H2,1-5H3/b23-21+InChIKey
ZNVFCFAXYHSCLZ-XTQSDGFTSA-NSynonyms
(~(E))(1(2(dimethylazaniumyl)ethyl)45dioxo2pyridin3ylpyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(dimethylammonio)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
5976681
InChI=1SC25H31N3O4c116(2)1532209818(1317(20)3)23(29)2122(197610261419)28(121127(4)5)25(31)24(21)30h6101314162229H111215H215H3b2321+
MFCD31753872
ZINC000102175555
ZINC000102175562
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