Vitas-M small molecule compound
5-(4-ethoxybenzyl)-1-(4-ethylphenyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL524940
SMILES CCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC
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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 C33H36N4O5 MW 568.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N4O5/c1-3-22-8-12-26(13-9-22)37-31(40)33(30(39)34-32(37)41,17-23-10-14-27(15-11-23)42-4-2)21-35-18-24-16-25(20-35)28-6-5-7-29(38)36(28)19-24/h5-15,24-25H,3-4,16-21H2,1-2H3,(H,34,39,41)/t24-,25+,33?/m0/s1InChIKey
FFXRJMBKRMFLEQ-USHSTLRJSA-NSynonyms
5(4ethoxybenzyl)1(4ethylphenyl)5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
5(4ethoxybenzyl)1(4ethylphenyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
CCOc1ccc(cc1)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC
InChI=1SC33H36N4O5c132281226(13922)3731(40)33(30(39)3432(37)411723101427(151123)4242)213518241625(2035)2865729(38)36(28)1924h5152425H341621H212H3(H343941)t2425+33?m0s1
MFCD06763727
ZINC000002139479
ZINC000070669822
Check stock
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