Vitas-M small molecule compound

5-(3,4-dimethoxybenzyl)-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
STL524835
SMILES C=CCN1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(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 C28H32N4O6 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O6/c1-4-10-31-26(35)28(25(34)29-27(31)36,13-18-8-9-22(37-2)23(12-18)38-3)17-30-14-19-11-20(16-30)21-6-5-7-24(33)32(21)15-19/h4-9,12,19-20H,1,10-11,13-17H2,2-3H3,(H,29,34,36)/t19-,20+,28?/m0/s1
InChIKey
XIJRDFVGQVIJRO-VWGXNCFZSA-N
Synonyms

1allyl5(34dimethoxybenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(34dimethoxybenzyl)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(c(c1)OC)OC
InChI=1SC28H32N4O6c14103126(35)28(25(34)2927(31)3613188922(372)23(1218)383)173014191120(1630)2165724(33)32(21)1519h49121920H110111317H223H3(H293436)t1920+28?m0s1
MFCD01548424
ZINC000002139198
ZINC000100743165

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Available files

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