Vitas-M small molecule compound
(E)-(4-butoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK567347
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCC[NH+]1CCOCC1)/[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 C27H33N3O5 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O5/c1-2-3-17-35-22-7-5-21(6-8-22)25(31)23-24(20-9-11-28-12-10-20)30(27(33)26(23)32)14-4-13-29-15-18-34-19-16-29/h5-12,24,31H,2-4,13-19H2,1H3/b25-23+InChIKey
ZSUXDWAZGNCJKB-WJTDDFOZSA-NSynonyms
845662-39-7(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
845662397
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=NC=C4)(O)
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC27H33N3O5c1231735227521(6822)25(31)2324(2091128121020)30(27(33)26(23)32)1441329151834191629h5122431H241319H21H3b2523+
MFCD18245150
ZINC000102547025
ZINC000102547031
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