Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK560544
SMILES C=CCOc1ccc(cc1)/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 C24H27N3O4 MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O4/c1-4-15-31-19-10-8-17(9-11-19)22(28)20-21(18-7-5-12-25-16-18)27(24(30)23(20)29)14-6-13-26(2)3/h4-5,7-12,16,21,28H,1,6,13-15H2,2-3H3/b22-20+InChIKey
ZQMRJVCGVGQAGK-LSDHQDQOSA-NSynonyms
613220-15-8(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
613220158
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)(C)C)(O)
CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)OCC=C)O)C(=O)C1=O)C3=CN=CC=C3
InChI=1SC24H27N3O4c1415311910817(91119)22(28)2021(187512251618)27(24(30)23(20)29)1461326(2)3h45712162128H161315H223H3b2220+
MFCD08730861
ZINC000006025077
ZINC000006025084
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