Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK206736
SMILES C/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/NCc1ccccc1Cl
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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 C20H17ClN4OS MW 396.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4OS/c1-12(22-11-14-7-3-4-8-15(14)21)18-13(2)24-25(19(18)26)20-23-16-9-5-6-10-17(16)27-20/h3-10,22H,11H2,1-2H3/b18-12+InChIKey
YFTXYODASDZGCS-LDADJPATSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1((2chlorobenzyl)amino)ethylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1((2CHLOROPHENYL)METHYLAMINO)ETHYLIDENE)5METHYLPYRAZOL3ONE
(Z)1(benzo(d)thiazol2yl)4(1((2chlorobenzyl)amino)ethylidene)3methyl1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4((((2CHLOROPHENYL)METHYL)AMINO)ETHYLIDENE)3METHYL12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)NCc1ccccc1Cl
CC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3
InChI=1SC20H17ClN4OSc112(221114734815(14)21)1813(2)2425(19(18)26)2023169561017(16)2720h31022H11H212H3b1812+
MFCD03778755
ZINC000004741220
ZINC04741220
ZINC4741220
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