Vitas-M small molecule compound

3-{4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide

Catalog ID
STK904586
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N(CC)CC)c1ccccc1)/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 C29H25N5O2S2 MW 539.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O2S2/c1-3-33(4-2)38(35,36)25-14-10-11-21(18-25)28-23(20-34(32-28)24-12-6-5-7-13-24)17-22(19-30)29-31-26-15-8-9-16-27(26)37-29/h5-18,20H,3-4H2,1-2H3/b22-17+
InChIKey
UKFBTUPFEWZXKK-OQKWZONESA-N
Synonyms
1009770-39-1
(E)3(4(2(benzo(d)thiazol2yl)2cyanovinyl)1phenyl1Hpyrazol3yl)NNdiethylbenzenesulfonamide
1009770391
3(4((E)2(13benzothiazol2yl)2cyanoethenyl)1phenyl1Hpyrazol3yl)NNdiethylbenzenesulfonamide
3(4((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)1PHENYLPYRAZOL3YL)NNDIETHYLBENZENESULFONAMIDE
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
InChI=1SC29H25N5O2S2c1333(42)38(3536)2514101121(1825)2823(2034(3228)24126571324)1722(1930)29312615891627(26)3729h51820H34H212H3b2217+
MFCD04176816
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N(CC)CC)c1ccccc1)c1nc2c(s1)cccc2
ZINC000101132942
ZINC101132942

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Available files

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