Vitas-M small molecule compound
2-[2-(benzyloxy)-5-bromophenyl]-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383923
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)ccc1OCc1ccccc1)O)(C)C
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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 C28H31BrN2O2S MW 539.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31BrN2O2S/c1-4-28(2,3)18-10-12-20-23(14-18)34-27-24(20)26(32)30-25(31-27)21-15-19(29)11-13-22(21)33-16-17-8-6-5-7-9-17/h5-9,11,13,15,18,25,31H,4,10,12,14,16H2,1-3H3,(H,30,32)InChIKey
VUOXZUIGGVQAKM-UHFFFAOYSA-NSynonyms
2(2(benzyloxy)5bromophenyl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(5bromo2phenylmethoxyphenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5
InChI=1SC28H31BrN2O2Sc1428(23)1810122023(1418)342724(20)26(32)3025(3127)211519(29)111322(21)3316178657917h59111315182531H410121416H213H3(H3032)
MFCD03836621
ZINC000102092659
ZINC000102092675
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