Vitas-M small molecule compound
2-{3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK096079
SMILES COc1cc(ccc1OCCOc1ccccc1C)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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c1-16-7-3-5-9-19(16)31-13-14-32-20-12-11-17(15-21(20)30-2)24-27-25(29)23-18-8-4-6-10-22(18)33-26(23)28-24/h3,5,7,9,11-12,15H,4,6,8,10,13-14H2,1-2H3,(H,27,28,29)InChIKey
SQUCXFAVNWEUSZ-UHFFFAOYSA-NSynonyms
2(3methoxy4(2(2methylphenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3methoxy4(2(2methylphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(ccc1OCCOc1ccccc1C)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC26H26N2O4Sc116735919(16)3113143220121117(1521(20)302)242725(29)23188461022(18)3326(23)2824h3579111215H468101314H212H3(H272829)
MFCD03032716
STK096079
ZINC000009730649
ZINC09730649
ZINC9730649
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