Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL149743
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-15-11-18(31-2)7-8-19(15)22(28)20-21(17-6-4-10-26-13-17)27(24(30)23(20)29)14-16-5-3-9-25-12-16/h3-13,21,28H,14H2,1-2H3/b22-20+InChIKey
LNBKKEKSMCYJLG-LSDHQDQOSA-NSynonyms
385420-28-0(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)5PYRIDIN3YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
385420280
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CN=CC=C4)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccnc1)Cc1ccc(nH+)c1)(O)
InChI=1SC24H21N3O4c1151118(312)7819(15)22(28)2021(176410261317)27(24(30)23(20)29)1416539251216h3132128H14H212H3b2220+
MFCD20755665
ZINC000102929891
ZINC000102929893
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