Vitas-M small molecule compound
7-tert-butyl-2-{3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK052508
SMILES CCOc1cc(ccc1OCCCOc1cccc(c1)OC)c1nc2sc3c(c2c(=O)[nH]1)CCC(C3)C(C)(C)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/c1-6-37-26-17-20(11-14-25(26)39-16-8-15-38-23-10-7-9-22(19-23)36-5)29-33-30(35)28-24-13-12-21(32(2,3)4)18-27(24)40-31(28)34-29/h7,9-11,14,17,19,21H,6,8,12-13,15-16,18H2,1-5H3,(H,33,34,35)InChIKey
UJTPWTXGLKGATJ-UHFFFAOYSA-NSynonyms
7tertbutyl2(3ethoxy4(3(3methoxyphenoxy)propoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2(3ethoxy4(3(3methoxyphenoxy)propoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2)OCCCOC5=CC=CC(=C5)OC
CCOc1cc(ccc1OCCCOc1cccc(c1)OC)c1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C(C)(C)C
InChI=1SC32H38N2O5Sc1637261720(111425(26)39168153823107922(1923)365)293330(35)2824131221(32(23)4)1827(24)4031(28)3429h791114171921H681213151618H215H3(H333435)
MFCD03567266
STK052508
ZINC000097995561
ZINC000097995562
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