Vitas-M small molecule compound
4-(7-ethyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzoate
Catalog ID
STK384779
SMILES CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)C)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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-3-28-13-12-19-20(14-28)32-24-21(19)23(29)26-22(27-24)16-8-10-18(11-9-16)31-25(30)17-6-4-15(2)5-7-17/h4-11,22,27H,3,12-14H2,1-2H3,(H,26,29)InChIKey
NCRSCDSWXAYGHR-UHFFFAOYSA-NSynonyms
(4(7ethyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4methylbenzoate
4(7ethyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4methylbenzoate
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C
InChI=1SC25H25N3O3Sc132813121920(1428)322421(19)23(29)2622(2724)1681018(11916)3125(30)176415(2)5717h4112227H31214H212H3(H2629)
MFCD05661738
ZINC000015947410
ZINC000015947412
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