Vitas-M small molecule compound
2-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK828080
SMILES COc1cc(ccc1OCCOc1ccc(cc1)C(C)(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 C29H32N2O4S MW 504.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O4S/c1-29(2,3)19-10-12-20(13-11-19)34-15-16-35-22-14-9-18(17-23(22)33-4)26-30-27(32)25-21-7-5-6-8-24(21)36-28(25)31-26/h9-14,17H,5-8,15-16H2,1-4H3,(H,30,31,32)InChIKey
JRXCJCJOFLZYDR-UHFFFAOYSA-NSynonyms
2(4(2(4(tertbutyl)phenoxy)ethoxy)3methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(4(2(4tertbutylphenoxy)ethoxy)3methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(2(4tertbutylphenoxy)ethoxy)3methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC29H32N2O4Sc129(23)19101220(131119)341516352214918(1723(22)334)263027(32)2521756824(21)3628(25)3126h91417H581516H214H3(H303132)
MFCD02993977
ZINC000017058861
ZINC17058861
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