Vitas-M small molecule compound
(E)-{2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL149796
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C28H26N2O6 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6/c1-17(2)36-22-12-10-20(11-13-22)25(31)23-24(19-6-8-21(9-7-19)28(34)35-3)30(27(33)26(23)32)16-18-5-4-14-29-15-18/h4-15,17,24,31H,16H2,1-3H3/b25-23+InChIKey
UOEPYHYRILONLA-WJTDDFOZSA-NSynonyms
371211-77-7(E)(2(4(methoxycarbonyl)phenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(4METHOXYCARBONYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
371211777
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC28H26N2O6c117(2)3622121020(111322)25(31)2324(196821(9719)28(34)353)30(27(33)26(23)32)16185414291518h415172431H16H213H3b2523+
METHYL4((3E)3(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN2YL)BENZOATE
METHYL4(4HYDROXY3((4(METHYLETHOXY)PHENYL)CARBONYL)5OXO1(3PYRIDYLMETHYL)3PYRROLIN2YL)BENZOATE
MFCD20755674
ZINC000102929589
ZINC000102929591
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