Vitas-M small molecule compound
2-{3-methoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK053999
SMILES COc1cccc(c1)OCCCOc1ccc(cc1OC)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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-31-18-7-5-8-19(16-18)33-13-6-14-34-21-12-11-17(15-22(21)32-2)25-28-26(30)24-20-9-3-4-10-23(20)35-27(24)29-25/h5,7-8,11-12,15-16H,3-4,6,9-10,13-14H2,1-2H3,(H,28,29,30)InChIKey
JSPWSBXYAKUNSW-UHFFFAOYSA-NSynonyms
2(3methoxy4(3(3methoxyphenoxy)propoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3methoxy4(3(3methoxyphenoxy)propoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=CC(=CC=C1)OCCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cccc(c1)OCCCOc1ccc(cc1OC)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC27H28N2O5Sc1311875819(1618)33136143421121117(1522(21)322)252826(30)24209341023(20)3527(24)2925h57811121516H3469101314H212H3(H282930)
MFCD03259137
STK053999
ZINC000009434936
ZINC09434936
ZINC9434936
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