Vitas-M small molecule compound
methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK739946
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C24H18ClN3O6S MW 511.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O6S/c1-33-24(30)21-16-4-2-3-5-20(16)35-23(21)27-22(29)14(12-26)10-15-7-9-19(34-15)13-6-8-17(25)18(11-13)28(31)32/h6-11H,2-5H2,1H3,(H,27,29)/b14-10+InChIKey
RJFFRESHVOQCJE-GXDHUFHOSA-NSynonyms
469877-08-5(E)methyl2(3(5(4chloro3nitrophenyl)furan2yl)2cyanoacrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
469877085
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C#N
InChI=1SC24H18ClN3O6Sc13324(30)2116423520(16)3523(21)2722(29)14(1226)10157919(3415)136817(25)18(1113)28(31)32h611H25H21H3(H2729)b1410+
methyl2(((2E)3(5(4chloro3nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(5(4chloro3nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02371067
N#CC(=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000001805820
ZINC01805820
ZINC1805820
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.