Vitas-M small molecule compound
ethyl 2-(5-bromo-2-ethoxyphenyl)-4-hydroxy-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK384031
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)ccc1OCC)O
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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 C20H22BrN3O4S MW 480.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN3O4S/c1-3-27-14-6-5-11(21)9-13(14)17-22-18(25)16-12-7-8-24(20(26)28-4-2)10-15(12)29-19(16)23-17/h5-6,9,17,23H,3-4,7-8,10H2,1-2H3,(H,22,25)InChIKey
FHLQBRQWPQPBFQ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)Br)C2NC3=C(C4=C(S3)CN(CC4)C(=O)OCC)C(=O)N2
ethyl2(5bromo2ethoxyphenyl)4hydroxy1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(5bromo2ethoxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC20H22BrN3O4Sc1327146511(21)913(14)172218(25)16127824(20(26)2842)1015(12)2919(16)2317h5691723H347810H212H3(H2225)
MFCD03837209
ZINC000008921445
ZINC000008921448
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