Vitas-M small molecule compound
2-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK434435
SMILES COc1ccc(cc1COc1ccc(c(c1)Cl)F)c1nc2sc3c(c2c(=O)[nH]1)CCCCC3
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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 C25H22ClFN2O3S MW 484.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClFN2O3S/c1-31-20-10-7-14(11-15(20)13-32-16-8-9-19(27)18(26)12-16)23-28-24(30)22-17-5-3-2-4-6-21(17)33-25(22)29-23/h7-12H,2-6,13H2,1H3,(H,28,29,30)InChIKey
SBJIPNJYENXPIB-UHFFFAOYSA-NSynonyms
2(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)356789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
COC1=C(C=C(C=C1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2)COC5=CC(=C(C=C5)F)Cl
COc1ccc(cc1COc1ccc(c(c1)Cl)F)c1nc2sc3c(c2c(=O)(nH)1)CCCCC3
InChI=1SC25H22ClFN2O3Sc1312010714(1115(20)1332168919(27)18(26)1216)232824(30)22175324621(17)3325(22)2923h712H2613H21H3(H282930)
MFCD03942626
ZINC000006304297
ZINC06304297
ZINC6304297
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