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)-2-methoxyphenyl benzoate
Catalog ID
STK384548
SMILES CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)OC)OC(=O)c1ccccc1)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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-3-28-12-11-17-20(14-28)33-24-21(17)23(29)26-22(27-24)16-9-10-18(19(13-16)31-2)32-25(30)15-7-5-4-6-8-15/h4-10,13,22,27H,3,11-12,14H2,1-2H3,(H,26,29)InChIKey
KVDFQQIZOKYZBV-UHFFFAOYSA-NSynonyms
(4(7ethyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)2methoxyphenyl)benzoate
4(7ethyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)2methoxyphenylbenzoate
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CC=C5)OC
InChI=1SC25H25N3O4Sc132812111720(1428)332421(17)23(29)2622(2724)1691018(19(1316)312)3225(30)157546815h410132227H3111214H212H3(H2629)
MFCD04042227
ZINC000008927662
ZINC000008927665
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