Vitas-M small molecule compound
2-{3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK087060
SMILES CCOc1cc(cc(c1OCCOc1ccc(c(c1)C)C)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 C28H29BrN2O4S MW 569.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrN2O4S/c1-4-33-22-15-18(26-30-27(32)24-20-7-5-6-8-23(20)36-28(24)31-26)14-21(29)25(22)35-12-11-34-19-10-9-16(2)17(3)13-19/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,30,31,32)InChIKey
HIWPSHIUNFLBOC-UHFFFAOYSA-NSynonyms
2(3bromo4(2(34dimethylphenoxy)ethoxy)5ethoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3bromo4(2(34dimethylphenoxy)ethoxy)5ethoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Br)OCCOC5=CC(=C(C=C5)C)C
CCOc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Br)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC28H29BrN2O4Sc1433221518(263027(32)2420756823(20)3628(24)3126)1421(29)25(22)351211341910916(2)17(3)1319h9101315H481112H213H3(H303132)
MFCD05977308
STK087060
ZINC000098045135
ZINC98045135
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