Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STK559726
SMILES COc1cccc(c1)C1N(CC[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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-17-21(16-27-30(17)19-10-6-5-7-11-19)24(31)22-23(18-9-8-12-20(15-18)34-4)29(14-13-28(2)3)26(33)25(22)32/h5-12,15-16,23,31H,13-14H2,1-4H3/b24-22+InChIKey
AQKFYUGDMNALEK-ZNTNEXAZSA-NSynonyms
908229-13-0(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5(3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY5(3METHOXYPHENYL)4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
908229130
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC(=CC=C4)OC)(O)
COc1cccc(c1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O)
InChI=1SC26H28N4O4c11721(162730(17)19106571119)24(31)2223(18981220(1518)344)29(141328(2)3)26(33)25(22)32h51215162331H1314H214H3b2422+
MFCD18243348
ZINC000102489757
ZINC000102489764
Check stock
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Check stock on Vitas-MAvailable files
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