Vitas-M small molecule compound
3-(4-bromophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK077303
SMILES COc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)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 C25H21BrN2O3S2 MW 541.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O3S2/c1-31-18-12-6-15(7-13-18)20(29)14-32-25-27-23-22(19-4-2-3-5-21(19)33-23)24(30)28(25)17-10-8-16(26)9-11-17/h6-13H,2-5,14H2,1H3InChIKey
JGJDMYYOBLSQGX-UHFFFAOYSA-NSynonyms
498545-50-93(4bromophenyl)2((2(4methoxyphenyl)2oxoethyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(4bromophenyl)2((2(4methoxyphenyl)2oxoethyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(4bromophenyl)2(2(4methoxyphenyl)2oxoethyl)sulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
498545509
COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br
COc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3
InChI=1SC25H21BrN2O3S2c1311812615(71318)20(29)143225272322(19423521(19)3323)24(30)28(25)1710816(26)91117h613H2514H21H3
MFCD03223091
STK077303
ZINC000002213714
ZINC2213714
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