Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK570001
SMILES CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[O-])C
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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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-16(2)32-20-9-7-18(8-10-20)23(29)21-22(19-6-4-12-27-14-19)28(25(31)24(21)30)15-17-5-3-11-26-13-17/h3-14,16,22,29H,15H2,1-2H3/b23-21+InChIKey
SLNLUMDFTOGTJL-XTQSDGFTSA-NSynonyms
370586-32-6(4E)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)5PYRIDIN3YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CN=CC=C4)O
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)Cc1ccc(nH+)c1)(O))C
InChI=1SC25H23N3O4c116(2)32209718(81020)23(29)2122(196412271419)28(25(31)24(21)30)15175311261317h314162229H15H212H3b2321+
MFCD08732649
ZINC000102369166
ZINC000102369168
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