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

Catalog ID
STK149848
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(/Nc1ccc(cc1)Cl)\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 C21H17ClN4O3S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O3S/c1-12(23-14-9-7-13(22)8-10-14)19-16(11-18(27)29-2)25-26(20(19)28)21-24-15-5-3-4-6-17(15)30-21/h3-10,23H,11H2,1-2H3/b19-12+
InChIKey
YJBKORUNAYZNEE-XDHOZWIPSA-N
Synonyms

(1BENZOTHIAZOL2YL4(1(4CHLOROPHENYLAMINO)ETH(E)YLIDENE)5OXO45DIHYDRO1HPYRAZOL3YL)ACETICACIDMETHYLESTER
(E)methyl2(1(benzo(d)thiazol2yl)4(1((4chlorophenyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
2((4E)1(13BENZOTHIAZOL2YL)4(1(4CHLOROANILINO)ETHYLIDENE)5KETO2PYRAZOLIN3YL)ACETICACIDMETHYLESTER
2((4E)1(13BENZOTHIAZOL2YL)4(1(4CHLOROANILINO)ETHYLIDENE)5OXO3PYRAZOLYL)ACETICACIDMETHYLESTER
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NC4=CC=C(C=C4)Cl
COC(=O)CC1=NN(C(=O)C1=C(Nc1ccc(cc1)Cl)C)c1nc2c(s1)cccc2
InChI=1SC21H17ClN4O3Sc112(23149713(22)81014)1916(1118(27)292)2526(20(19)28)212415534617(15)3021h31023H11H212H3b1912+
METHYL((4E)1(13BENZOTHIAZOL2YL)4(1((4CHLOROPHENYL)AMINO)ETHYLIDENE)5OXO45DIHYDRO1HPYRAZOL3YL)ACETATE
METHYL2((4E)1(13BENZOTHIAZOL2YL)4(1((4CHLOROPHENYL)AMINO)ETHYLIDENE)5OXIDANYLIDENEPYRAZOL3YL)ETHANOATE
METHYL2((4E)1(13BENZOTHIAZOL2YL)4(1(4CHLOROANILINO)ETHYLIDENE)5OXOPYRAZOL3YL)ACETATE
MFCD04171279
ZINC000017967785
ZINC17967785

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Available files

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