Vitas-M small molecule compound
(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL045867
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-17(2)16-35-23-11-8-21(13-18(23)3)26(32)24-25(20-6-9-22(29)10-7-20)31(28(34)27(24)33)15-19-5-4-12-30-14-19/h4-14,17,25,32H,15-16H2,1-3H3/b26-24+InChIKey
AKPKHVMCZDRDIH-SHHOIMCASA-NSynonyms
(4E)5(4CHLOROPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4CHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(4chlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
5(4CHLOROPHENYL)3HYDROXY4(4ISOBUTOXY3METHYLBENZOYL)1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)Cl)(O))OCC(C)C
InChI=1SC28H27ClN2O4c117(2)16352311821(1318(23)3)26(32)2425(206922(29)10720)31(28(34)27(24)33)15195412301419h414172532H1516H213H3b2624+
MFCD18248733
ZINC000102175295
ZINC000102175299
Check stock
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Check stock on Vitas-MAvailable files
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