Vitas-M small molecule compound
2-{3-ethoxy-4-[3-(4-methoxyphenoxy)propoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK090457
SMILES CCOc1cc(ccc1OCCCOc1ccc(cc1)OC)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 C28H30N2O5S MW 506.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5S/c1-3-33-23-17-18(26-29-27(31)25-21-7-4-5-8-24(21)36-28(25)30-26)9-14-22(23)35-16-6-15-34-20-12-10-19(32-2)11-13-20/h9-14,17H,3-8,15-16H2,1-2H3,(H,29,30,31)InChIKey
URBCANJTBXGSIP-UHFFFAOYSA-NSynonyms
2(3ethoxy4(3(4methoxyphenoxy)propoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3ethoxy4(3(4methoxyphenoxy)propoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCCOC5=CC=C(C=C5)OC
CCOc1cc(ccc1OCCCOc1ccc(cc1)OC)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC28H30N2O5Sc1333231718(262927(31)2521745824(21)3628(25)3026)91422(23)35166153420121019(322)111320h91417H381516H212H3(H293031)
MFCD03257850
STK090457
ZINC000013894568
ZINC13894568
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