Vitas-M small molecule compound
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK821905
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1
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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 C23H19N5O5S MW 477.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O5S/c24-13-17(23(29)25-19-9-10-34(32,33)15-19)11-18-14-27(20-6-2-1-3-7-20)26-22(18)16-5-4-8-21(12-16)28(30)31/h1-8,11-12,14,19H,9-10,15H2,(H,25,29)/b17-11+InChIKey
BVNVLMYDVXPFSQ-GZTJUZNOSA-NSynonyms
(2E)2cyanoN(11dioxidotetrahydrothiophen3yl)3(3(3nitrophenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2cyanoN(11dioxothiolan3yl)3(3(3nitrophenyl)1phenylpyrazol4yl)prop2enamide
C1CS(=O)(=O)CC1NC(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4)C#N
InChI=1SC23H19N5O5Sc241317(23(29)251991034(3233)1519)11181427(206213720)2622(18)1654821(1216)28(30)31h1811121419H91015H2(H2529)b1711+
MFCD03463113
N#CC(=Cc1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
ZINC000026966536
ZINC000026966544
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