Vitas-M small molecule compound
ethyl 2-({(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK800055
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2c(Oc3ccc(cc3)Br)nc3n(c2=O)cccc3)/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 C29H23BrN4O5S MW 619.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN4O5S/c1-2-38-29(37)24-20-7-3-4-8-22(20)40-27(24)33-25(35)17(16-31)15-21-26(39-19-12-10-18(30)11-13-19)32-23-9-5-6-14-34(23)28(21)36/h5-6,9-15H,2-4,7-8H2,1H3,(H,33,35)/b17-15+InChIKey
AVQLGQXNRUNQBA-BMRADRMJSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)OC5=CC=C(C=C5)Br)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2c(Oc3ccc(cc3)Br)nc3n(c2=O)cccc3)C#N)sc2c1CCCC2
ethyl2(((2E)3(2(4bromophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(2(4bromophenoxy)4oxopyrido(12a)pyrimidin3yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H23BrN4O5Sc123829(37)2420734822(20)4027(24)3325(35)17(1631)152126(3919121018(30)111319)32239561434(23)28(21)36h56915H2478H21H3(H3335)b1715+
MFCD06642836
ZINC000097946832
ZINC97946832
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