Vitas-M small molecule compound
(E)-(4-butoxyphenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK568151
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CC[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 C24H29N3O4 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O4/c1-4-5-16-31-19-8-6-18(7-9-19)22(28)20-21(17-10-12-25-13-11-17)27(15-14-26(2)3)24(30)23(20)29/h6-13,21,28H,4-5,14-16H2,1-3H3/b22-20+InChIKey
KBQMYTWLQMKUFL-LSDHQDQOSA-NSynonyms
(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=NC=C3)(O)
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccncc1)CC(NH+)(C)C)(O)
InChI=1SC24H29N3O4c1451631198618(7919)22(28)2021(17101225131117)27(151426(2)3)24(30)23(20)29h6132128H451416H213H3b2220+
MFCD18245208
ZINC000102550874
ZINC000102550882
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