Vitas-M small molecule compound
1-(4-methoxyphenyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL525464
SMILES COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cc(OC)c(c(c1)OC)OC
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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 C33H36N4O8 MW 616.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N4O8/c1-42-24-10-8-23(9-11-24)37-31(40)33(30(39)34-32(37)41,15-20-13-26(43-2)29(45-4)27(14-20)44-3)19-35-16-21-12-22(18-35)25-6-5-7-28(38)36(25)17-21/h5-11,13-14,21-22H,12,15-19H2,1-4H3,(H,34,39,41)/t21-,22+,33?/m0/s1InChIKey
HKHWVPSZKLHYNK-UAOJNWESSA-NSynonyms
1(4methoxyphenyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)5(345trimethoxybenzyl)pyrimidine246(1H3H5H)trione
1(4methoxyphenyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)5(345trimethoxybenzyl)pyrimidine246(1H3H5H)trione
COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1cc(OC)c(c(c1)OC)OC
InChI=1SC33H36N4O8c1422410823(91124)3731(40)33(30(39)3432(37)4115201326(432)29(454)27(1420)443)193516211222(1835)2565728(38)36(25)1721h51113142122H121519H214H3(H343941)t2122+33?m0s1
MFCD01548442
ZINC000070669790
ZINC000070669791
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.