Vitas-M small molecule compound
(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK707330
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)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/c31-20-24(30(36)32-21-27-13-9-17-39-27)18-25-22-35(26-11-4-3-5-12-26)33-29(25)23-10-8-14-28(19-23)40(37,38)34-15-6-1-2-7-16-34/h3-5,8,10-12,14,18-19,22,27H,1-2,6-7,9,13,15-17,21H2,(H,32,36)/b24-18+InChIKey
HLQKDUIFUVRZCW-HKOYGPOVSA-NSynonyms
(2E)3(3(3(azepan1ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2cyanoN(tetrahydrofuran2ylmethyl)prop2enamide
(E)3(3(3(azepan1ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2cyanoN((tetrahydrofuran2yl)methyl)acrylamide
(E)3(3(3(AZEPAN1YLSULFONYL)PHENYL)1PHENYLPYRAZOL4YL)2CYANON(OXOLAN2YLMETHYL)PROP2ENAMIDE
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCC4CCCO4)C5=CC=CC=C5
InChI=1SC30H33N5O4Sc312024(30(36)322127139173927)18252235(26114351226)3329(25)231081428(1923)40(3738)341561271634h35810121418192227H1267913151721H2(H3236)b2418+
MFCD04184123
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)C(=O)NCC1CCCO1
ZINC000097947324
ZINC000097947325
Check stock
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Check stock on Vitas-MAvailable files
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