Vitas-M small molecule compound
(E)-(4-butoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL048073
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CC[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 C26H31N3O5 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O5/c1-2-3-16-34-21-6-4-20(5-7-21)24(30)22-23(19-8-10-27-11-9-19)29(26(32)25(22)31)13-12-28-14-17-33-18-15-28/h4-11,23,30H,2-3,12-18H2,1H3/b24-22+InChIKey
BEAUAKQHEMNVDR-ZNTNEXAZSA-NSynonyms
(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=NC=C4)(O)
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccncc1)CC(NH+)1CCOCC1)(O)
InChI=1SC26H31N3O5c1231634216420(5721)24(30)2223(198102711919)29(26(32)25(22)31)131228141733181528h4112330H231218H21H3b2422+
MFCD18249168
ZINC000102884149
ZINC000102884150
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