Vitas-M small molecule compound
methyl 2-({(2E)-3-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyanoprop-2-enoyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK472674
SMILES N#C/C(=C\c1cn(nc1c1ccccc1)Cc1ccc(cc1)Cl)/C(=O)Nc1sc(cc1C(=O)OC)C(C)C
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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 C29H25ClN4O3S MW 545.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O3S/c1-18(2)25-14-24(29(36)37-3)28(38-25)32-27(35)21(15-31)13-22-17-34(16-19-9-11-23(30)12-10-19)33-26(22)20-7-5-4-6-8-20/h4-14,17-18H,16H2,1-3H3,(H,32,35)/b21-13+InChIKey
NKRJGZMJTZLWNJ-FYJGNVAPSA-NSynonyms
CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)C#N)C(=O)OC
InChI=1SC29H25ClN4O3Sc118(2)251424(29(36)373)28(3825)3227(35)21(1531)13221734(161991123(30)121019)3326(22)207546820h4141718H16H213H3(H3235)b2113+
methyl2(((2E)3(1(4chlorobenzyl)3phenyl1Hpyrazol4yl)2cyanoprop2enoyl)amino)5(propan2yl)thiophene3carboxylate
methyl2(((E)3(1((4chlorophenyl)methyl)3phenylpyrazol4yl)2cyanoprop2enoyl)amino)5propan2ylthiophene3carboxylate
METHYL2((2E)3(1((4CHLOROPHENYL)METHYL)3PHENYLPYRAZOL4YL)2CYANOPROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
MFCD07093519
N#CC(=Cc1cn(nc1c1ccccc1)Cc1ccc(cc1)Cl)C(=O)Nc1sc(cc1C(=O)OC)C(C)C
ZINC000097965801
ZINC97965801
Check stock
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Check stock on Vitas-MAvailable files
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