Vitas-M small molecule compound
2-{3-bromo-4-[2-(2,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK003630
SMILES COc1cc(cc(c1OCCOc1ccc(cc1C)C)Br)c1[nH]c(=O)c2c(n1)sc1c2CCC(C1)C
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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 C28H29BrN2O4S MW 569.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrN2O4S/c1-15-6-8-21(17(3)11-15)34-9-10-35-25-20(29)13-18(14-22(25)33-4)26-30-27(32)24-19-7-5-16(2)12-23(19)36-28(24)31-26/h6,8,11,13-14,16H,5,7,9-10,12H2,1-4H3,(H,30,31,32)InChIKey
JHRBHFCDFMREGZ-UHFFFAOYSA-NSynonyms
2(3bromo4(2(24dimethylphenoxy)ethoxy)5methoxyphenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3bromo4(2(24dimethylphenoxy)ethoxy)5methoxyphenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C(=C4)Br)OCCOC5=C(C=C(C=C5)C)C)OC
COc1cc(cc(c1OCCOc1ccc(cc1C)C)Br)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C
InChI=1SC28H29BrN2O4Sc1156821(17(3)1115)34910352520(29)1318(1422(25)334)263027(32)24197516(2)1223(19)3628(24)3126h6811131416H5791012H214H3(H303132)
MFCD03257409
STK003630
ZINC000097995549
ZINC000097995550
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