Vitas-M small molecule compound
2-{3-chloro-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK099079
SMILES COc1cccc(c1)OCCOc1c(Cl)cc(cc1OC)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 C26H25ClN2O5S MW 513.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O5S/c1-31-16-6-5-7-17(14-16)33-10-11-34-23-19(27)12-15(13-20(23)32-2)24-28-25(30)22-18-8-3-4-9-21(18)35-26(22)29-24/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,28,29,30)InChIKey
YMYASWAIUPJPLD-UHFFFAOYSA-NSynonyms
2(3chloro5methoxy4(2(3methoxyphenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro5methoxy4(2(3methoxyphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
2(3chloro5methoxy4(2(3methoxyphenoxy)ethoxy)phenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
COC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2Cl)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cccc(c1)OCCOc1c(Cl)cc(cc1OC)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC26H25ClN2O5Sc1311665717(1416)331011342319(27)1215(1320(23)322)242825(30)2218834921(18)3526(22)2924h571214H34811H212H3(H282930)
MFCD02241806
STK099079
ZINC000002299216
ZINC02299216
ZINC2299216
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