Vitas-M small molecule compound
2-{3-bromo-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK032860
SMILES COc1cc(cc(c1OCCOc1ccc(cc1)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 C26H25BrN2O4S MW 541.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O4S/c1-15-7-9-17(10-8-15)32-11-12-33-23-19(27)13-16(14-20(23)31-2)24-28-25(30)22-18-5-3-4-6-21(18)34-26(22)29-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,28,29,30)InChIKey
XEMFFPKACZAASF-UHFFFAOYSA-NSynonyms
2(3bromo5methoxy4(2(4methylphenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3bromo5methoxy4(2(4methylphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Br)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(cc(c1OCCOc1ccc(cc1)C)Br)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC26H25BrN2O4Sc1157917(10815)321112332319(27)1316(1420(23)312)242825(30)2218534621(18)3426(22)2924h7101314H361112H212H3(H282930)
MFCD05977306
STK032860
ZINC000098044800
ZINC98044800
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