Vitas-M small molecule compound

5-(4-hydroxy-3-methoxybenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL528127
SMILES COc1cc(ccc1O)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1

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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 C30H30N4O6 MW 542.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O6/c1-40-25-13-19(10-11-24(25)35)14-30(27(37)31-29(39)34(28(30)38)22-6-3-2-4-7-22)18-32-15-20-12-21(17-32)23-8-5-9-26(36)33(23)16-20/h2-11,13,20-21,35H,12,14-18H2,1H3,(H,31,37,39)/t20-,21+,30?/m0/s1
InChIKey
JSEBBAKNTGQLMM-HFHQHIJTSA-N
Synonyms

5(4hydroxy3methoxybenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
5(4hydroxy3methoxybenzyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
COc1cc(ccc1O)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
InChI=1SC30H30N4O6c140251319(101124(25)35)1430(27(37)3129(39)34(28(30)38)226324722)183215201221(1732)2385926(36)33(23)1620h21113202135H121418H21H3(H313739)t2021+30?m0s1
MFCD01550020
ZINC000002095693
ZINC000002095695

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Available files

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