Vitas-M small molecule compound

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

Catalog ID
STK904372
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCC(CC1)C)c1ccccc1)/C(=O)NCC1CCCO1

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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 C30H33N5O4S MW 559.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O4S/c1-22-12-14-34(15-13-22)40(37,38)28-11-5-7-23(18-28)29-25(21-35(33-29)26-8-3-2-4-9-26)17-24(19-31)30(36)32-20-27-10-6-16-39-27/h2-5,7-9,11,17-18,21-22,27H,6,10,12-16,20H2,1H3,(H,32,36)/b24-17+
InChIKey
FTDABSZYQSBTPE-JJIBRWJFSA-N
Synonyms

(2E)2cyano3(3(3((4methylpiperidin1yl)sulfonyl)phenyl)1phenyl1Hpyrazol4yl)N(tetrahydrofuran2ylmethyl)prop2enamide
(E)2cyano3(3(3(4methylpiperidin1yl)sulfonylphenyl)1phenylpyrazol4yl)N(oxolan2ylmethyl)prop2enamide
(Z)2cyano3(3(3((4methylpiperidin1yl)sulfonyl)phenyl)1phenyl1Hpyrazol4yl)N((tetrahydrofuran2yl)methyl)acrylamide
CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCC4CCCO4)C5=CC=CC=C5
InChI=1SC30H33N5O4Sc122121434(151322)40(3738)28115723(1828)2925(2135(3329)268324926)1724(1931)30(36)322027106163927h2579111718212227H610121620H21H3(H3236)b2417+
MFCD18076059
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCC(CC1)C)c1ccccc1)C(=O)NCC1CCCO1
ZINC000097947310
ZINC000097947311

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Available files

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