Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149406
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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 C28H35N3O5 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5/c1-3-4-15-36-22-8-9-23(20(2)18-22)26(32)24-25(21-7-5-10-29-19-21)31(28(34)27(24)33)12-6-11-30-13-16-35-17-14-30/h5,7-10,18-19,25,32H,3-4,6,11-17H2,1-2H3/b26-24+InChIKey
JMLWFOYAYDKRPK-SHHOIMCASA-NSynonyms
500267-94-7(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(4butoxy2methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY2METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
500267947
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CN=CC=C4)O)C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC28H35N3O5c1341536228923(20(2)1822)26(32)2425(217510291921)31(28(34)27(24)33)1261130131635171430h571018192532H3461117H212H3b2624+
MFCD20755600
ZINC000102929125
ZINC000102929126
Check stock
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