Vitas-M small molecule compound
2-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK065030
SMILES COc1cc(cc(c1OCc1ccc(cc1)F)Br)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 C24H20BrFN2O3S MW 515.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrFN2O3S/c1-30-18-11-14(10-17(25)21(18)31-12-13-6-8-15(26)9-7-13)22-27-23(29)20-16-4-2-3-5-19(16)32-24(20)28-22/h6-11H,2-5,12H2,1H3,(H,27,28,29)InChIKey
LRRZCXVDYQASQR-UHFFFAOYSA-NSynonyms
2(3bromo4((4fluorobenzyl)oxy)5methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3bromo4((4fluorophenyl)methoxy)5methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Br)OCC5=CC=C(C=C5)F
COc1cc(cc(c1OCc1ccc(cc1)F)Br)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC24H20BrFN2O3Sc130181114(1017(25)21(18)3112136815(26)9713)222723(29)2016423519(16)3224(20)2822h611H2512H21H3(H272829)
MFCD03184217
STK065030
ZINC000012345747
ZINC12345747
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