Vitas-M small molecule compound
2-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-1,2,3,5,6,7-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK431053
SMILES COc1ccc(cc1COc1ccc(cc1Br)Cl)C1NC(=O)c2c(N1)sc1c2CCC1
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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 C23H20BrClN2O3S MW 519.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrClN2O3S/c1-29-17-7-5-12(9-13(17)11-30-18-8-6-14(25)10-16(18)24)21-26-22(28)20-15-3-2-4-19(15)31-23(20)27-21/h5-10,21,27H,2-4,11H2,1H3,(H,26,28)InChIKey
PJZNUUOCLVEHMN-UHFFFAOYSA-NSynonyms
2(3((2bromo4chlorophenoxy)methyl)4methoxyphenyl)123567hexahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
3(3((2bromo4chlorophenoxy)methyl)4methoxyphenyl)234678hexahydrocyclopenta(23)thieno(24d)pyrimidin1one
COC1=C(C=C(C=C1)C2NC3=C(C4=C(S3)CCC4)C(=O)N2)COC5=C(C=C(C=C5)Cl)Br
InChI=1SC23H20BrClN2O3Sc129177512(913(17)1130188614(25)1016(18)24)212622(28)201532419(15)3123(20)2721h5102127H2411H21H3(H2628)
MFCD03465703
ZINC000002737917
ZINC000002737918
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