Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[4-(diphenylmethyl)piperazin-1-yl]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL447115
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\N1CCN(CC1)C(c1ccccc1)c1ccccc1)/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 C36H32ClN5OS2 MW 650.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32ClN5OS2/c1-25(40-20-22-41(23-21-40)34(26-10-4-2-5-11-26)27-12-6-3-7-13-27)33-31(24-44-29-18-16-28(37)17-19-29)39-42(35(33)43)36-38-30-14-8-9-15-32(30)45-36/h2-19,34H,20-24H2,1H3/b33-25-InChIKey
KRABHNCWHQDOBL-IVQJCJPDSA-NSynonyms
(4Z)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(1(4(diphenylmethyl)piperazin1yl)ethylidene)24dihydro3Hpyrazol3one
(4Z)4(1(4BENZHYDRYLPIPERAZIN1YL)ETHYLIDENE)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7
Clc1ccc(cc1)SCC1=NN(C(=O)C1=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C)c1nc2c(s1)cccc2
InChI=1SC36H32ClN5OS2c125(40202241(232140)34(26104251126)27126371327)3331(244429181628(37)171929)3942(35(33)43)36383014891532(30)4536h21934H2024H21H3b3325
MFCD06240676
ZINC000150346688
ZINC150346688
Check stock
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Check stock on Vitas-MAvailable files
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