Vitas-M small molecule compound
(E)-[2-(3,4-dichlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL039925
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)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 C28H26Cl2N2O4 MW 525.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl2N2O4/c1-16(2)15-36-20-7-8-21(17(3)11-20)26(33)24-25(19-6-9-22(29)23(30)12-19)32(28(35)27(24)34)14-18-5-4-10-31-13-18/h4-13,16,25,33H,14-15H2,1-3H3/b26-24+InChIKey
MGVQDTGQKBHZTJ-SHHOIMCASA-NSynonyms
488136-96-5(4E)5(34DICHLOROPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DICHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(34dichlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
488136965
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)Cl)Cl)O
InChI=1SC28H26Cl2N2O4c116(2)1536207821(17(3)1120)26(33)2425(196922(29)23(30)1219)32(28(35)27(24)34)14185410311318h413162533H1415H213H3b2624+
MFCD18247918
ZINC000102168841
ZINC000102168847
Check stock
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Check stock on Vitas-MAvailable files
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