Vitas-M small molecule compound
(E)-(3-methoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL148925
SMILES COc1cccc(c1)/C(=C\1/C(c2cccnc2)N(C(=O)C1=O)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 C24H27N3O5 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O5/c1-31-19-7-2-5-17(15-19)22(28)20-21(18-6-3-8-25-16-18)27(24(30)23(20)29)10-4-9-26-11-13-32-14-12-26/h2-3,5-8,15-16,21,28H,4,9-14H2,1H3/b22-20+InChIKey
XQYXANHVZBFSPN-LSDHQDQOSA-NSynonyms
608505-50-6(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(3methoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(3METHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
608505506
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CN=CC=C4)(O)
COc1cccc(c1)C(=C1C(c2cccnc2)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC24H27N3O5c1311972517(1519)22(28)2021(18638251618)27(24(30)23(20)29)104926111332141226h235815162128H4914H21H3b2220+
MFCD20755503
ZINC000102931940
ZINC000102931944
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