Vitas-M small molecule compound
5-(3,5-dibromo-2-methoxybenzyl)-1,3-dimethyl-5-{[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL524748
SMILES COc1c(Br)cc(cc1CC1(CN2C[C@H]3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C)Br
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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 C26H28Br2N4O4S MW 652.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28Br2N4O4S/c1-29-23(34)26(24(35)30(2)25(29)37,10-16-8-18(27)9-19(28)22(16)36-3)14-31-11-15-7-17(13-31)20-5-4-6-21(33)32(20)12-15/h4-6,8-9,15,17H,7,10-14H2,1-3H3/t15-,17?/m0/s1InChIKey
ONYLZMQSTCQFRI-MYJWUSKBSA-NSynonyms
5(35dibromo2methoxybenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
5(35dibromo2methoxybenzyl)13dimethyl5(((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
COc1c(Br)cc(cc1CC1(CN2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C)Br
InChI=1SC26H28Br2N4O4Sc12923(34)26(24(35)30(2)25(29)371016818(27)919(28)22(16)363)14311115717(1331)2054621(33)32(20)1215h46891517H71014H213H3t1517?m0s1
MFCD02115122
ZINC000150348257
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