Vitas-M small molecule compound
(2E)-2-cyano-N-(3-methoxypropyl)-3-(3-{3-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enamide
Catalog ID
STK905209
SMILES COCCCNC(=O)/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC(C1)C)c1ccccc1)/C#N
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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 C29H33N5O4S MW 547.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O4S/c1-22-9-7-15-33(20-22)39(36,37)27-13-6-10-23(18-27)28-25(21-34(32-28)26-11-4-3-5-12-26)17-24(19-30)29(35)31-14-8-16-38-2/h3-6,10-13,17-18,21-22H,7-9,14-16,20H2,1-2H3,(H,31,35)/b24-17+InChIKey
IZXGPAJJPXTHEE-JJIBRWJFSA-NSynonyms
1010869-67-6(2E)2cyanoN(3methoxypropyl)3(3(3((3methylpiperidin1yl)sulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2cyanoN(3methoxypropyl)3(3(3((3methylpiperidin1yl)sulfonyl)phenyl)1phenyl1Hpyrazol4yl)acrylamide
(E)2CYANON(3METHOXYPROPYL)3(3(3(3METHYLPIPERIDIN1YL)SULFONYLPHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
1010869676
CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCCCOC)C4=CC=CC=C4
COCCCNC(=O)C(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC(C1)C)c1ccccc1)C#N
InChI=1SC29H33N5O4Sc122971533(2022)39(3637)271361023(1827)2825(2134(3228)26114351226)1724(1930)29(35)3114816382h36101317182122H79141620H212H3(H3135)b2417+
MFCD05696819
ZINC000101233805
ZINC000101233810
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.