Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-chlorobenzyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK261937
SMILES Clc1ccc(cc1)CN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/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 C20H17ClN4OS MW 396.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4OS/c1-12(22-11-14-7-9-15(21)10-8-14)18-13(2)24-25(19(18)26)20-23-16-5-3-4-6-17(16)27-20/h3-10,22H,11H2,1-2H3/b18-12-InChIKey
XXPSNIXGJZFJQD-PDGQHHTCSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((4chlorobenzyl)amino)ethylidene)5methyl24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)4(1((4chlorophenyl)methylamino)ethylidene)5methylpyrazol3one
(Z)1(benzo(d)thiazol2yl)4(1((4chlorobenzyl)amino)ethylidene)3methyl1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4((((4CHLOROPHENYL)METHYL)AMINO)ETHYLIDENE)3METHYL12DIAZOLIN5ONE
CC1=NN(C(=O)C1=C(C)NCC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3
Clc1ccc(cc1)CNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C
InChI=1SC20H17ClN4OSc112(2211147915(21)10814)1813(2)2425(19(18)26)202316534617(16)2720h31022H11H212H3b1812
MFCD08548224
ZINC000100422757
ZINC100422757
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