Vitas-M small molecule compound

3-{4-[(E)-2-cyano-2-(1-methyl-1H-benzimidazol-2-yl)ethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide

Catalog ID
STK904661
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N(CC)CC)c1ccccc1)/c1nc2c(n1C)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 C30H28N6O2S MW 536.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N6O2S/c1-4-35(5-2)39(37,38)26-15-11-12-22(19-26)29-24(21-36(33-29)25-13-7-6-8-14-25)18-23(20-31)30-32-27-16-9-10-17-28(27)34(30)3/h6-19,21H,4-5H2,1-3H3/b23-18+
InChIKey
OIUOTYXQBAHVAG-PTGBLXJZSA-N
Synonyms
1010868-49-1
(E)3(4(2cyano2(1methyl1Hbenzo(d)imidazol2yl)vinyl)1phenyl1Hpyrazol3yl)NNdiethylbenzenesulfonamide
1010868491
3(4((E)2cyano2(1methyl1Hbenzimidazol2yl)ethenyl)1phenyl1Hpyrazol3yl)NNdiethylbenzenesulfonamide
3(4((E)2CYANO2(1METHYLBENZIMIDAZOL2YL)ETHENYL)1PHENYLPYRAZOL3YL)NNDIETHYLBENZENESULFONAMIDE
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5
InChI=1SC30H28N6O2Sc1435(52)39(3738)2615111222(1926)2924(2136(3329)25137681425)1823(2031)303227169101728(27)34(30)3h61921H45H213H3b2318+
MFCD04196979
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N(CC)CC)c1ccccc1)c1nc2c(n1C)cccc2
ZINC000101173388
ZINC101173388

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Available files

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