Vitas-M small molecule compound
4-bromo-2-ethoxy-6-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)phenolate
Catalog ID
STL043951
SMILES CCOc1cc(Br)cc(c1[O-])C1N=C(O)c2c(N1)sc1c2CC[NH+](C1)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 C18H20BrN3O3S MW 438.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN3O3S/c1-3-25-12-7-9(19)6-11(15(12)23)16-20-17(24)14-10-4-5-22(2)8-13(10)26-18(14)21-16/h6-7,16,21,23H,3-5,8H2,1-2H3,(H,20,24)InChIKey
ROLNREIMXREQHU-UHFFFAOYSA-NSynonyms
488796-29-82(5bromo3ethoxy2hydroxyphenyl)7methyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
488796298
4bromo2ethoxy6(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)phenolate
CCOC1=C(C(=CC(=C1)Br)C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2)O
CCOc1cc(Br)cc(c1(O))C1N=C(O)c2c(N1)sc1c2CC(NH+)(C1)C
InChI=1SC18H20BrN3O3Sc13251279(19)611(15(12)23)162017(24)14104522(2)813(10)2618(14)2116h67162123H358H212H3(H2024)
MFCD18248321
ZINC000008589993
ZINC000008589994
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