Vitas-M small molecule compound
methyl 2-{[(2Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL017872
SMILES N#C/C(=C/c1ccc(c(c1)OC)O)/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/c1-27-16-10-12(7-8-15(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
ZQJXOQRPNWVGBO-LCYFTJDESA-NSynonyms
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)O
InChI=1SC21H20N2O5Sc127161012(7815(16)24)913(1122)19(25)232018(21(26)282)14534617(14)2920h71024H36H212H3(H2325)b139
methyl2(((2Z)2cyano3(4hydroxy3methoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((Z)2cyano3(4hydroxy3methoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06651095
N#CC(=Cc1ccc(c(c1)OC)O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000002708526
ZINC02708526
ZINC2708526
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