Vitas-M small molecule compound
2-bromo-6-methoxy-4-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzoate
Catalog ID
STL328076
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1)C)Br)C1NC(=O)c2c(N1)sc1c2CCCC1
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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 C25H23BrN2O4S MW 527.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O4S/c1-13-7-9-14(10-8-13)25(30)32-21-17(26)11-15(12-18(21)31-2)22-27-23(29)20-16-5-3-4-6-19(16)33-24(20)28-22/h7-12,22,28H,3-6H2,1-2H3,(H,27,29)InChIKey
JRJSRTRBEAZBEY-UHFFFAOYSA-NSynonyms
(2bromo6methoxy4(4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4methylbenzoate
2bromo6methoxy4(4oxo12345678octahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4methylbenzoate
2bromo6methoxy4(4oxo12345678octahydrobenzo(45)thieno(23d)pyrimidin2yl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C3NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
InChI=1SC25H23BrN2O4Sc1137914(10813)25(30)322117(26)1115(1218(21)312)222723(29)2016534619(16)3324(20)2822h7122228H36H212H3(H2729)
MFCD01129677
ZINC000002062647
ZINC000002062648
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