Vitas-M small molecule compound
ethyl 2-(4-ethoxy-2-hydroxyphenyl)-4-hydroxy-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK384058
SMILES CCOc1ccc(c(c1)O)C1N=C(O)c2c(N1)sc1c2CCN(C1)C(=O)OCC
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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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-3-27-11-5-6-12(14(24)9-11)17-21-18(25)16-13-7-8-23(20(26)28-4-2)10-15(13)29-19(16)22-17/h5-6,9,17,22,24H,3-4,7-8,10H2,1-2H3,(H,21,25)InChIKey
TWZHWASUASTZQI-UHFFFAOYSA-NSynonyms
CCOC1=CC(=C(C=C1)C2NC3=C(C4=C(S3)CN(CC4)C(=O)OCC)C(=O)N2)O
ethyl2(4ethoxy2hydroxyphenyl)4hydroxy1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(4ethoxy2hydroxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC20H23N3O5Sc1327115612(14(24)911)172118(25)16137823(20(26)2842)1015(13)2919(16)2217h569172224H347810H212H3(H2125)
MFCD03837335
ZINC000005980298
ZINC000005980299
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