Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK740174
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)F)/C#N)sc2c1CCC(C2)C
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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 C26H23FN2O4S MW 478.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O4S/c1-3-32-26(31)23-20-10-4-15(2)12-22(20)34-25(23)29-24(30)17(14-28)13-19-9-11-21(33-19)16-5-7-18(27)8-6-16/h5-9,11,13,15H,3-4,10,12H2,1-2H3,(H,29,30)/b17-13+InChIKey
KXYWKKQGFRNSRN-GHRIWEEISA-NSynonyms
500197-47-7(E)ethyl2(2cyano3(5(4fluorophenyl)furan2yl)acrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
500197477
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)F)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)F)C#N)sc2c1CCC(C2)C
ethyl2(((2E)2cyano3(5(4fluorophenyl)furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3(5(4fluorophenyl)furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H23FN2O4Sc133226(31)232010415(2)1222(20)3425(23)2924(30)17(1428)131991121(3319)165718(27)8616h59111315H341012H212H3(H2930)b1713+
MFCD03305105
ZINC000001243860
ZINC000001243862
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