Vitas-M small molecule compound
butyl 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
STL069910
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Cl)/C#N)sc2c1CCCC2
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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 C27H24ClN3O6S MW 554.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN3O6S/c1-2-3-12-36-27(33)24-19-6-4-5-7-23(19)38-26(24)30-25(32)17(15-29)13-18-9-11-22(37-18)16-8-10-20(28)21(14-16)31(34)35/h8-11,13-14H,2-7,12H2,1H3,(H,30,32)/b17-13+InChIKey
JYWKEWCGPNSEFA-GHRIWEEISA-NSynonyms
(E)butyl2(3(5(4chloro3nitrophenyl)furan2yl)2cyanoacrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
butyl2(((2E)3(5(4chloro3nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)3(5(4chloro3nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))Cl)C#N)sc2c1CCCC2
InChI=1SC27H24ClN3O6Sc123123627(33)2419645723(19)3826(24)3025(32)17(1529)131891122(3718)1681020(28)21(1416)31(34)35h8111314H2712H21H3(H3032)b1713+
MFCD03305121
ZINC000001883852
ZINC01883852
ZINC1883852
Check stock
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Check stock on Vitas-MAvailable files
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