Vitas-M small molecule compound
3-(7-ethyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl (2E)-3-(furan-2-yl)prop-2-enoate
Catalog ID
STK384602
SMILES CCN1CCc2c(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 C24H23N3O4S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O4S/c1-2-27-11-10-18-19(14-27)32-24-21(18)23(29)25-22(26-24)15-5-3-6-17(13-15)31-20(28)9-8-16-7-4-12-30-16/h3-9,12-13,22,26H,2,10-11,14H2,1H3,(H,25,29)/b9-8+InChIKey
DOFXCIBTYRSKNS-CMDGGOBGSA-NSynonyms
(3(7ethyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)(E)3(furan2yl)prop2enoate
3(7ethyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl(2E)3(furan2yl)prop2enoate
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OC(=O)C=CC5=CC=CO5
CCN1CCc2c(C1)sc1c2C(=NC(N1)c1cccc(c1)OC(=O)C=Cc1ccco1)O
InChI=1SC24H23N3O4Sc122711101819(1427)322421(18)23(29)2522(2624)1553617(1315)3120(28)981674123016h3912132226H2101114H21H3(H2529)b98+
MFCD04966713
ZINC000008928035
ZINC000008928037
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