Vitas-M small molecule compound
2-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK082158
SMILES COc1cc(ccc1OCCOc1c(C)cccc1C)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 C27H28N2O4S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4S/c1-16-7-6-8-17(2)24(16)33-14-13-32-20-12-11-18(15-21(20)31-3)25-28-26(30)23-19-9-4-5-10-22(19)34-27(23)29-25/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H,28,29,30)InChIKey
NIVRZVCGDRAQBD-UHFFFAOYSA-NSynonyms
2(4(2(26dimethylphenoxy)ethoxy)3methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(2(26dimethylphenoxy)ethoxy)3methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=C(C(=CC=C1)C)OCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(ccc1OCCOc1c(C)cccc1C)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC27H28N2O4Sc11676817(2)24(16)3314133220121118(1521(20)313)252826(30)23199451022(19)3427(23)2925h68111215H459101314H213H3(H282930)
MFCD05977294
STK082158
ZINC000013893314
ZINC13893314
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