Vitas-M small molecule compound
2-(4-{2-[4-(hexyloxy)phenoxy]ethoxy}-3-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK067095
SMILES CCCCCCOc1ccc(cc1)OCCOc1ccc(cc1OC)c1nc2sc3c(c2c(=O)[nH]1)CCC(C3)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 C32H38N2O5S MW 562.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N2O5S/c1-4-5-6-7-16-37-23-10-12-24(13-11-23)38-17-18-39-26-15-9-22(20-27(26)36-3)30-33-31(35)29-25-14-8-21(2)19-28(25)40-32(29)34-30/h9-13,15,20-21H,4-8,14,16-19H2,1-3H3,(H,33,34,35)InChIKey
XQRSMHMWWRYXNL-UHFFFAOYSA-NSynonyms
2(4(2(4(hexyloxy)phenoxy)ethoxy)3methoxyphenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(2(4hexoxyphenoxy)ethoxy)3methoxyphenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCCCCCOC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CC(CC5)C)C(=O)N3)OC
CCCCCCOc1ccc(cc1)OCCOc1ccc(cc1OC)c1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C
InChI=1SC32H38N2O5Sc14567163723101224(131123)381718392615922(2027(26)363)303331(35)292514821(2)1928(25)4032(29)3430h913152021H48141619H213H3(H333435)
MFCD03568198
STK067095
ZINC000097995568
ZINC000097995569
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