Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STL037178
SMILES C[NH+](CCCN1C(c2ccc(cc2)C(C)C)/C(=C(/c2cnn(c2C)c2ccccc2)\[O-])/C(=O)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 C29H34N4O3 MW 486.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O3/c1-19(2)21-12-14-22(15-13-21)26-25(28(35)29(36)32(26)17-9-16-31(4)5)27(34)24-18-30-33(20(24)3)23-10-7-6-8-11-23/h6-8,10-15,18-19,26,34H,9,16-17H2,1-5H3/b27-25+InChIKey
YWKYWTCSTXHASB-IMVLJIQESA-NSynonyms
955898-36-9(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
955898369
C(NH+)(CCCN1C(c2ccc(cc2)C(C)C)C(=C(c2cnn(c2C)c2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC=C(C=C4)C(C)C)O
InChI=1SC29H34N4O3c119(2)21121422(151321)2625(28(35)29(36)32(26)1791631(4)5)27(34)24183033(20(24)3)23107681123h68101518192634H91617H215H3b2725+
MFCD18247378
ZINC000102856479
ZINC000102856484
Check stock
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Check stock on Vitas-MAvailable files
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