Vitas-M small molecule compound
ethyl 2-(3-bromo-5-chloro-2-hydroxyphenyl)-4-hydroxy-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK384016
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Cl)cc(c1O)Br)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 C18H17BrClN3O4S MW 486.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrClN3O4S/c1-2-27-18(26)23-4-3-9-12(7-23)28-17-13(9)16(25)21-15(22-17)10-5-8(20)6-11(19)14(10)24/h5-6,15,22,24H,2-4,7H2,1H3,(H,21,25)InChIKey
JQYFJKIZPOJAPT-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC(=C4O)Br)Cl
ethyl2(3bromo5chloro2hydroxyphenyl)4hydroxy1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(3bromo5chloro2hydroxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC18H17BrClN3O4Sc122718(26)2343912(723)281713(9)16(25)2115(2217)1058(20)611(19)14(10)24h56152224H247H21H3(H2125)
MFCD03837193
ZINC000008921397
ZINC000008921400
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