Vitas-M small molecule compound
5-(4-ethoxybenzyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL525186
SMILES C=CCN1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OCC
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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 C28H32N4O5 MW 504.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O5/c1-3-12-31-26(35)28(25(34)29-27(31)36,14-19-8-10-22(11-9-19)37-4-2)18-30-15-20-13-21(17-30)23-6-5-7-24(33)32(23)16-20/h3,5-11,20-21H,1,4,12-18H2,2H3,(H,29,34,36)/t20-,21+,28?/m0/s1InChIKey
BJDYOFQDYUDJKZ-PBJGFXAXSA-NSynonyms
1allyl5(4ethoxybenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(4ethoxybenzyl)5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1(prop2en1yl)pyrimidine246(1H3H5H)trione
C=CCN1C(=O)NC(=O)C(C1=O)(CN1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OCC
InChI=1SC28H32N4O5c13123126(35)28(25(34)2927(31)36141981022(11919)3742)183015201321(1730)2365724(33)32(23)1620h35112021H141218H22H3(H293436)t2021+28?m0s1
MFCD01549056
ZINC000002139366
ZINC000002139367
Check stock
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