Vitas-M small molecule compound
(E)-{2-(3-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL039272
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)CCCn1cc[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 C26H27ClN4O5 MW 510.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN4O5/c1-4-36-26(35)21-15(2)19(16(3)29-21)23(32)20-22(17-7-5-8-18(27)13-17)31(25(34)24(20)33)11-6-10-30-12-9-28-14-30/h5,7-9,12-14,22,29,32H,4,6,10-11H2,1-3H3/b23-20+InChIKey
DCSWRDOLMOETSC-BSYVCWPDSA-NSynonyms
848741-71-9(E)(2(3chlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
848741719
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)CCCn1cc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)Cl)O)C
ETHYL4((E)(2(3CHLOROPHENYL)1(3IMIDAZOL1YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H27ClN4O5c143626(35)2115(2)19(16(3)2921)23(32)2022(1775818(27)1317)31(25(34)24(20)33)1161030129281430h5791214222932H461011H213H3b2320+
MFCD18247798
ZINC000102863724
ZINC000102863730
Check stock
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Check stock on Vitas-MAvailable files
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