Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK988482
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(cc2)F)/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 C21H19FN2O3S MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN2O3S/c1-2-27-21(26)18-16-5-3-4-6-17(16)28-20(18)24-19(25)14(12-23)11-13-7-9-15(22)10-8-13/h7-11H,2-6H2,1H3,(H,24,25)/b14-11+InChIKey
OWPQDJSIZGQZNY-SDNWHVSQSA-NSynonyms
868154-61-4868154614
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(C=C3)F)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(cc2)F)C#N)sc2c1CCCC2
ethyl2(((2E)2cyano3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H19FN2O3Sc122721(26)1816534617(16)2820(18)2419(25)14(1223)11137915(22)10813h711H26H21H3(H2425)b1411+
MFCD05637827
ZINC000002708513
ZINC02708513
ZINC2708513
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