Vitas-M small molecule compound
2-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK061939
SMILES CCOc1cc(ccc1OCCOc1ccc(c(c1)C)C)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 C28H30N2O4S MW 490.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O4S/c1-4-32-23-16-19(10-12-22(23)34-14-13-33-20-11-9-17(2)18(3)15-20)26-29-27(31)25-21-7-5-6-8-24(21)35-28(25)30-26/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,29,30,31)InChIKey
GGMWWAABTDPQAC-UHFFFAOYSA-NSynonyms
2(4(2(34dimethylphenoxy)ethoxy)3ethoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(2(34dimethylphenoxy)ethoxy)3ethoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
2(4(2(34dimethylphenoxy)ethoxy)3ethoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCOC5=CC(=C(C=C5)C)C
CCOc1cc(ccc1OCCOc1ccc(c(c1)C)C)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC28H30N2O4Sc1432231619(101222(23)341413332011917(2)18(3)1520)262927(31)2521756824(21)3528(25)3026h9121516H481314H213H3(H293031)
MFCD02993824
STK061939
ZINC000002301369
ZINC02301369
ZINC2301369
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