Vitas-M small molecule compound
2-(2-methoxyethyl) 4-methyl 3-methyl-5-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK898040
SMILES COCCOC(=O)c1sc(c(c1C)C(=O)OC)N/C=C/1\C(=NN(C1=O)c1ccccc1)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 C22H23N3O6S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6S/c1-13-17(21(27)30-4)19(32-18(13)22(28)31-11-10-29-3)23-12-16-14(2)24-25(20(16)26)15-8-6-5-7-9-15/h5-9,12,23H,10-11H2,1-4H3/b16-12+InChIKey
RJXWKRFJRCUNEP-FOWTUZBSSA-NSynonyms
2(2methoxyethyl)4methyl3methyl5(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
2O(2methoxyethyl)4Omethyl3methyl5(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CC1=C(SC(=C1C(=O)OC)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C)C(=O)OCCOC
COCCOC(=O)c1sc(c(c1C)C(=O)OC)NC=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC22H23N3O6Sc11317(21(27)304)19(3218(13)22(28)311110293)23121614(2)2425(20(16)26)158657915h591223H1011H214H3b1612+
MFCD18172799
ZINC000044827066
ZINC44827066
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