Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(5-bromo-2-propoxyphenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK472710
SMILES CCCOc1ccc(cc1/C=C(/C(=O)Nc1sccc1C(=O)OC(C)C)\C#N)Br
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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 C21H21BrN2O4S MW 477.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O4S/c1-4-8-27-18-6-5-16(22)11-14(18)10-15(12-23)19(25)24-20-17(7-9-29-20)21(26)28-13(2)3/h5-7,9-11,13H,4,8H2,1-3H3,(H,24,25)/b15-10+InChIKey
SQRSDZLTYZQMFY-XNTDXEJSSA-NSynonyms
CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C
CCCOc1ccc(cc1C=C(C(=O)Nc1sccc1C(=O)OC(C)C)C#N)Br
InChI=1SC21H21BrN2O4Sc14827186516(22)1114(18)1015(1223)19(25)242017(792920)21(26)2813(2)3h5791113H48H213H3(H2425)b1510+
METHYLETHYL2((2E)3(5BROMO2PROPOXYPHENYL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093395
propan2yl2(((2E)3(5bromo2propoxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)3(5bromo2propoxyphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ZINC000020572742
ZINC20572742
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