Vitas-M small molecule compound
(E)-[3-methyl-4-(propan-2-yloxy)phenyl][2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK559501
SMILES CC(Oc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-16(2)36-22-10-9-20(12-17(22)3)25(31)23-24(19-7-4-8-21(13-19)30(34)35)29(27(33)26(23)32)15-18-6-5-11-28-14-18/h4-14,16,24,31H,15H2,1-3H3/b25-23+InChIKey
RJDNMABUOIBSJK-WJTDDFOZSA-NSynonyms
384351-69-3(4E)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(3methyl4(propan2yloxy)phenyl)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(3METHYL4PROPAN2YLOXYPHENYL)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
384351693
CC(Oc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))O)OC(C)C
InChI=1SC27H25N3O6c116(2)362210920(1217(22)3)25(31)2324(1974821(1319)30(34)35)29(27(33)26(23)32)15186511281418h414162431H15H213H3b2523+
MFCD18243287
ZINC000102377723
ZINC000102377725
Check stock
See real-time availability and sample size for STK559501 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.