Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK949073
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC)/C(=O)Nc1sc2c(c1C(=O)N)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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-27-15-8-7-12(10-16(15)28-2)9-13(11-22)20(26)24-21-18(19(23)25)14-5-3-4-6-17(14)29-21/h7-10H,3-6H2,1-2H3,(H2,23,25)(H,24,26)/b13-9+InChIKey
WMALWMLHHZXTKG-UKTHLTGXSA-NSynonyms
2(((2E)2cyano3(34dimethoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(((E)2cyano3(34dimethoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC
InChI=1SC21H21N3O4Sc127158712(1016(15)282)913(1122)20(26)242118(19(23)25)14534617(14)2921h710H36H212H3(H22325)(H2426)b139+
MFCD02327910
N#CC(=Cc1ccc(c(c1)OC)OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000001452896
ZINC01452896
ZINC1452896
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