Vitas-M small molecule compound
(E)-[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL037696
SMILES COc1cc(ccc1O)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-16(2)35-20-9-6-18(7-10-20)25(31)23-24(19-8-11-21(30)22(13-19)34-3)29(27(33)26(23)32)15-17-5-4-12-28-14-17/h4-14,16,24,30-31H,15H2,1-3H3/b25-23+InChIKey
GSRSQWJRKPMZNT-WJTDDFOZSA-NSynonyms
371213-90-0(4E)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4HYDROXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
(E)(2(4hydroxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
371213900
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)O)OC)O
COc1cc(ccc1O)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC27H26N2O6c116(2)35209618(71020)25(31)2324(1981121(30)22(1319)343)29(27(33)26(23)32)15175412281417h41416243031H15H213H3b2523+
MFCD08736140
ZINC000102858678
ZINC000102858682
Check stock
See real-time availability and sample size for STL037696 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.