Vitas-M small molecule compound
1-(4-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-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
STL525762
SMILES COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
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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 C34H32N4O5 MW 576.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N4O5/c1-43-27-14-12-26(13-15-27)38-32(41)34(31(40)35-33(38)42,17-24-8-4-7-23-6-2-3-9-28(23)24)21-36-18-22-16-25(20-36)29-10-5-11-30(39)37(29)19-22/h2-15,22,25H,16-21H2,1H3,(H,35,40,42)/t22-,25+,34?/m0/s1InChIKey
NHYNHBHHRRLDCE-TVYDAABRSA-NSynonyms
1(4methoxyphenyl)5(naphthalen1ylmethyl)5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
1(4methoxyphenyl)5(naphthalen1ylmethyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
InChI=1SC34H32N4O5c14327141226(131527)3832(41)34(31(40)3533(38)42172484723623928(23)24)213618221625(2036)291051130(39)37(29)1922h2152225H1621H21H3(H354042)t2225+34?m0s1
MFCD06763723
ZINC000002139210
ZINC000002139212
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