Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STK562513
SMILES COc1c(OC)cccc1C1N(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 C27H30N4O5 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5/c1-17-20(16-28-31(17)18-10-7-6-8-11-18)24(32)22-23(19-12-9-13-21(35-4)26(19)36-5)30(15-14-29(2)3)27(34)25(22)33/h6-13,16,23,32H,14-15H2,1-5H3/b24-22+InChIKey
HTYJWCYBRGFZCE-ZNTNEXAZSA-NSynonyms
908229-21-0(4E)5(23DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(23DIMETHOXYPHENYL)1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
908229210
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=C(C(=CC=C4)OC)OC)(O)
COc1c(OC)cccc1C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O)
InChI=1SC27H30N4O5c11720(162831(17)18107681118)24(32)2223(191291321(354)26(19)365)30(151429(2)3)27(34)25(22)33h613162332H1415H215H3b2422+
MFCD18244060
ZINC000102513086
ZINC000102513097
Check stock
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Check stock on Vitas-MAvailable files
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