Vitas-M small molecule compound
2-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK027854
SMILES COc1cc(ccc1OCCOc1ccc(cc1)C1CCCCC1)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 C31H34N2O4S MW 530.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O4S/c1-35-26-19-22(29-32-30(34)28-24-9-5-6-10-27(24)38-31(28)33-29)13-16-25(26)37-18-17-36-23-14-11-21(12-15-23)20-7-3-2-4-8-20/h11-16,19-20H,2-10,17-18H2,1H3,(H,32,33,34)InChIKey
YHIKKMTXBBGBEF-UHFFFAOYSA-NSynonyms
2(4(2(4cyclohexylphenoxy)ethoxy)3methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(2(4cyclohexylphenoxy)ethoxy)3methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCOC5=CC=C(C=C5)C6CCCCC6
COc1cc(ccc1OCCOc1ccc(cc1)C1CCCCC1)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC31H34N2O4Sc135261922(293230(34)28249561027(24)3831(28)3329)131625(26)3718173623141121(121523)207324820h11161920H2101718H21H3(H323334)
MFCD03184204
STK027854
ZINC000009136553
ZINC09136553
ZINC9136553
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