Vitas-M small molecule compound
2-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK031022
SMILES CCOc1cc(cc(c1OCc1ccc(cc1)F)Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C25H22ClFN2O3S MW 484.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClFN2O3S/c1-2-31-19-12-15(11-18(26)22(19)32-13-14-7-9-16(27)10-8-14)23-28-24(30)21-17-5-3-4-6-20(17)33-25(21)29-23/h7-12H,2-6,13H2,1H3,(H,28,29,30)InChIKey
DZHJDTSJFHLGTC-UHFFFAOYSA-NSynonyms
2(3chloro5ethoxy4((4fluorobenzyl)oxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro5ethoxy4((4fluorophenyl)methoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Cl)OCC5=CC=C(C=C5)F
CCOc1cc(cc(c1OCc1ccc(cc1)F)Cl)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC25H22ClFN2O3Sc1231191215(1118(26)22(19)3213147916(27)10814)232824(30)2117534620(17)3325(21)2923h712H2613H21H3(H282930)
MFCD03184214
STK031022
ZINC000009144544
ZINC09144544
ZINC9144544
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