Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STL043662
SMILES COC(=O)c1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[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 C28H30N4O5 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O5/c1-18-22(17-29-32(18)21-9-6-5-7-10-21)25(33)23-24(19-11-13-20(14-12-19)28(36)37-4)31(27(35)26(23)34)16-8-15-30(2)3/h5-7,9-14,17,24,33H,8,15-16H2,1-4H3/b25-23+InChIKey
ZABWNFSUDUFIAK-WJTDDFOZSA-NSynonyms
955862-23-4(E)(1(3(dimethylammonio)propyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
955862234
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)(C)C)C4=CC=C(C=C4)C(=O)OC)(O)
COC(=O)c1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O)
InChI=1SC28H30N4O5c11822(172932(18)2196571021)25(33)2324(19111320(141219)28(36)374)31(27(35)26(23)34)1681530(2)3h57914172433H81516H214H3b2523+
METHYL4((3E)1(3(DIMETHYLAMINO)PROPYL)3(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18248260
ZINC000102872758
ZINC000102872761
Check stock
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Check stock on Vitas-MAvailable files
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