Vitas-M small molecule compound

methyl 2-{[(2Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL022370
SMILES N#C/C(=C/c1ccc(c(c1)O)OC)/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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-27-16-8-7-12(10-15(16)24)9-13(11-22)19(25)23-20-18(21(26)28-2)14-5-3-4-6-17(14)29-20/h7-10,24H,3-6H2,1-2H3,(H,23,25)/b13-9-
InChIKey
QGHFXDAQBHTVEA-LCYFTJDESA-N
Synonyms

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)O
InChI=1SC21H20N2O5Sc127168712(1015(16)24)913(1122)19(25)232018(21(26)282)14534617(14)2920h71024H36H212H3(H2325)b139
methyl2(((2Z)2cyano3(3hydroxy4methoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((Z)2cyano3(3hydroxy4methoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06438768
N#CC(=Cc1ccc(c(c1)O)OC)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000004540090
ZINC04540090
ZINC4540090

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Available files

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