Vitas-M small molecule compound

4-(4-{(Z)-[2-(4-benzylpiperazin-1-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide

Catalog ID
STK702307
SMILES O=C1N=C(S/C/1=C\c1cn(nc1c1ccc(cc1)S(=O)(=O)N(C)C)c1ccccc1)N1CCN(CC1)Cc1ccccc1

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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 C32H32N6O3S2 MW 612.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N6O3S2/c1-35(2)43(40,41)28-15-13-25(14-16-28)30-26(23-38(34-30)27-11-7-4-8-12-27)21-29-31(39)33-32(42-29)37-19-17-36(18-20-37)22-24-9-5-3-6-10-24/h3-16,21,23H,17-20,22H2,1-2H3/b29-21-
InChIKey
LWFLYNCMCYKZKE-ANYBSYGZSA-N
Synonyms

4(4((Z)(2(4benzylpiperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)1phenyl1Hpyrazol3yl)NNdimethylbenzenesulfonamide
4(4((Z)(2(4BENZYLPIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)1PHENYLPYRAZOL3YL)NNDIMETHYLBENZENESULFONAMIDE
CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC32H32N6O3S2c135(2)43(4041)28151325(141628)3026(2338(3430)27117481227)212931(39)3332(4229)37191736(182037)222495361024h3162123H172022H212H3b2921
MFCD03225694
O=C1N=C(SC1=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)N(C)C)c1ccccc1)N1CCN(CC1)Cc1ccccc1
ZINC000097946360
ZINC97946360

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.