Vitas-M small molecule compound
2-{3,5-dichloro-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK037392
SMILES COc1cccc(c1)OCCOc1c(Cl)cc(cc1Cl)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 C25H22Cl2N2O4S MW 517.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22Cl2N2O4S/c1-31-15-5-4-6-16(13-15)32-9-10-33-22-18(26)11-14(12-19(22)27)23-28-24(30)21-17-7-2-3-8-20(17)34-25(21)29-23/h4-6,11-13H,2-3,7-10H2,1H3,(H,28,29,30)InChIKey
HFOXTTQPPLQQAR-UHFFFAOYSA-NSynonyms
2(35dichloro4(2(3methoxyphenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(35dichloro4(2(3methoxyphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2Cl)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)Cl
COc1cccc(c1)OCCOc1c(Cl)cc(cc1Cl)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC25H22Cl2N2O4Sc1311554616(1315)32910332218(26)1114(1219(22)27)232824(30)2117723820(17)3425(21)2923h461113H23710H21H3(H282930)
MFCD02950904
STK037392
ZINC000002124700
ZINC02124700
ZINC2124700
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