Vitas-M small molecule compound
methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK261663
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(/Nc1ccc(cc1)C)\C)c1nc2c(s1)cccc2
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-13-8-10-15(11-9-13)23-14(2)20-17(12-19(27)29-3)25-26(21(20)28)22-24-16-6-4-5-7-18(16)30-22/h4-11,23H,12H2,1-3H3/b20-14+InChIKey
YZTZFSPANXCZHV-XSFVSMFZSA-NSynonyms
(E)methyl2(1(benzo(d)thiazol2yl)5oxo4(1(ptolylamino)ethylidene)45dihydro1Hpyrazol3yl)acetate
CC1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC)C
COC(=O)CC1=NN(C(=O)C1=C(Nc1ccc(cc1)C)C)c1nc2c(s1)cccc2
InChI=1SC22H20N4O3Sc11381015(11913)2314(2)2017(1219(27)293)2526(21(20)28)222416645718(16)3022h41123H12H213H3b2014+
methyl((4E)1(13benzothiazol2yl)4(1((4methylphenyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
METHYL(1(13BENZOTHIAZOL2YL)4(1((4METHYLPHENYL)AMINO)ETHYLIDENE)5OXO45DIHYDRO1HPYRAZOL3YL)ACETATE
METHYL2((4E)1(13BENZOTHIAZOL2YL)4(1(4METHYLANILINO)ETHYLIDENE)5OXOPYRAZOL3YL)ACETATE
MFCD04175031
ZINC000101032342
ZINC101032342
ZINC18244249
Check stock
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Check stock on Vitas-MAvailable files
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