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methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxyphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

Catalog ID
STK149849
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(/Nc1ccc(cc1)OC)\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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-13(23-14-8-10-15(29-2)11-9-14)20-17(12-19(27)30-3)25-26(21(20)28)22-24-16-6-4-5-7-18(16)31-22/h4-11,23H,12H2,1-3H3/b20-13+
InChIKey
NJVBRKXLHFSWML-DEDYPNTBSA-N
Synonyms

(1BENZOTHIAZOL2YL4(1(4METHOXYPHENYLAMINO)ETH(E)YLIDENE)5OXO45DIHYDRO1HPYRAZOL3YL)ACETICACIDMETHYLESTER
(E)methyl2(1(benzo(d)thiazol2yl)4(1((4methoxyphenyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
2((4E)1(13BENZOTHIAZOL2YL)4(1(4METHOXYANILINO)ETHYLIDENE)5OXO3PYRAZOLYL)ACETICACIDMETHYLESTER
2((4E)1(13BENZOTHIAZOL2YL)5KETO4(1(PANISIDINO)ETHYLIDENE)2PYRAZOLIN3YL)ACETICACIDMETHYLESTER
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NC4=CC=C(C=C4)OC
COC(=O)CC1=NN(C(=O)C1=C(Nc1ccc(cc1)OC)C)c1nc2c(s1)cccc2
InChI=1SC22H20N4O4Sc113(231481015(292)11914)2017(1219(27)303)2526(21(20)28)222416645718(16)3122h41123H12H213H3b2013+
METHYL((4E)1(13BENZOTHIAZOL2YL)4(1((4METHOXYPHENYL)AMINO)ETHYLIDENE)5OXO45DIHYDRO1HPYRAZOL3YL)ACETATE
METHYL2((4E)1(13BENZOTHIAZOL2YL)4(1((4METHOXYPHENYL)AMINO)ETHYLIDENE)5OXIDANYLIDENEPYRAZOL3YL)ETHANOATE
METHYL2((4E)1(13BENZOTHIAZOL2YL)4(1(4METHOXYANILINO)ETHYLIDENE)5OXOPYRAZOL3YL)ACETATE
MFCD04169644
ZINC000018254462
ZINC18254462

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Available files

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