Vitas-M small molecule compound

(2E)-2-cyano-N-methyl-3-(3-{3-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enamide

Catalog ID
STK905247
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC(C1)C)c1ccccc1)/C(=O)NC

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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 C26H27N5O3S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S/c1-19-8-7-13-30(17-19)35(33,34)24-12-6-9-20(15-24)25-22(14-21(16-27)26(32)28-2)18-31(29-25)23-10-4-3-5-11-23/h3-6,9-12,14-15,18-19H,7-8,13,17H2,1-2H3,(H,28,32)/b21-14+
InChIKey
MSBWQPGDXBIXSQ-KGENOOAVSA-N
Synonyms
1010871-33-6
(2E)2cyanoNmethyl3(3(3((3methylpiperidin1yl)sulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2cyanoNmethyl3(3(3((3methylpiperidin1yl)sulfonyl)phenyl)1phenyl1Hpyrazol4yl)acrylamide
(E)2CYANONMETHYL3(3(3(3METHYLPIPERIDIN1YL)SULFONYLPHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
1010871336
CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NC)C4=CC=CC=C4
InChI=1SC26H27N5O3Sc119871330(1719)35(3334)24126920(1524)2522(1421(1627)26(32)282)1831(2925)23104351123h3691214151819H781317H212H3(H2832)b2114+
MFCD05703758
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC(C1)C)c1ccccc1)C(=O)NC
ZINC000009345865
ZINC000009345868

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Available files

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