Vitas-M small molecule compound
ethyl 2-(3-{[(2E)-3-(furan-2-yl)prop-2-enoyl]oxy}phenyl)-4-hydroxy-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK384044
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1cccc(c1)OC(=O)/C=C/c1ccco1)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 C25H23N3O6S MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O6S/c1-2-32-25(31)28-11-10-18-19(14-28)35-24-21(18)23(30)26-22(27-24)15-5-3-6-17(13-15)34-20(29)9-8-16-7-4-12-33-16/h3-9,12-13,22,27H,2,10-11,14H2,1H3,(H,26,30)/b9-8+InChIKey
ZUWRPYUJXRNLPQ-CMDGGOBGSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OC(=O)C=CC5=CC=CO5
CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1cccc(c1)OC(=O)C=Cc1ccco1)O
ethyl2(3(((2E)3(furan2yl)prop2enoyl)oxy)phenyl)4hydroxy1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(3((E)3(furan2yl)prop2enoyl)oxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC25H23N3O6Sc123225(31)2811101819(1428)352421(18)23(30)2622(2724)1553617(1315)3420(29)981674123316h3912132227H2101114H21H3(H2630)b98+
MFCD03837321
ZINC000008921641
ZINC000008921642
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