Vitas-M small molecule compound
2-bromo-6-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK093449
SMILES COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)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 C24H21BrN2O5S2 MW 561.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN2O5S2/c1-13-7-9-15(10-8-13)34(29,30)32-21-17(25)11-14(12-18(21)31-2)22-26-23(28)20-16-5-3-4-6-19(16)33-24(20)27-22/h7-12H,3-6H2,1-2H3,(H,26,27,28)InChIKey
FHYPQKNQWSYLBP-UHFFFAOYSA-NSynonyms
(2bromo6methoxy4(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4methylbenzenesulfonate
2bromo6methoxy4(4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC24H21BrN2O5S2c1137915(10813)34(2930)322117(25)1114(1218(21)312)222623(28)2016534619(16)3324(20)2722h712H36H212H3(H262728)
MFCD03183975
STK093449
ZINC000002124718
ZINC02124718
ZINC2124718
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