Vitas-M small molecule compound
(E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL148372
SMILES CCOc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(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 C30H32N2O5 MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O5/c1-5-36-24-11-8-22(9-12-24)27-26(29(34)30(35)32(27)17-21-7-6-14-31-16-21)28(33)23-10-13-25(20(4)15-23)37-18-19(2)3/h6-16,19,27,33H,5,17-18H2,1-4H3/b28-26+InChIKey
DBHZNSJCBXWOQA-BYCLXTJYSA-NSynonyms
500104-46-1(4E)5(4ETHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(4ethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
500104461
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC(C)C)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
CCOc1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC30H32N2O5c15362411822(91224)2726(29(34)30(35)32(27)17217614311621)28(33)23101325(20(4)1523)371819(2)3h616192733H51718H214H3b2826+
MFCD20755382
ZINC000102927227
ZINC000102927231
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.