Vitas-M small molecule compound
2-(4-{3-[2-(butan-2-yl)phenoxy]propoxy}-3-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK124351
SMILES CCOc1cc(ccc1OCCCOc1ccccc1C(CC)C)c1[nH]c(=O)c2c(n1)sc1c2CCC(C1)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 C32H38N2O4S MW 546.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N2O4S/c1-5-21(4)23-10-7-8-11-25(23)37-16-9-17-38-26-15-13-22(19-27(26)36-6-2)30-33-31(35)29-24-14-12-20(3)18-28(24)39-32(29)34-30/h7-8,10-11,13,15,19-21H,5-6,9,12,14,16-18H2,1-4H3,(H,33,34,35)InChIKey
WUYWSBMUEQWVHO-UHFFFAOYSA-NSynonyms
2(4(3(2(butan2yl)phenoxy)propoxy)3ethoxyphenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(3(2butan2ylphenoxy)propoxy)3ethoxyphenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCC(C)C1=CC=CC=C1OCCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CC(CC5)C)C(=O)N3)OCC
CCOc1cc(ccc1OCCCOc1ccccc1C(CC)C)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C
InChI=1SC32H38N2O4Sc1521(4)2310781125(23)37169173826151322(1927(26)3662)303331(35)2924141220(3)1828(24)3932(29)3430h78101113151921H56912141618H214H3(H333435)
MFCD03573512
ZINC000097995776
ZINC000097995779
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