Vitas-M small molecule compound

5-{[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenyl-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL524871
SMILES CC(c1ccc(cc1)CC1(CN2C[C@H]3CC(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1)C

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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 C32H34N4O4 MW 538.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O4/c1-21(2)24-13-11-22(12-14-24)16-32(29(38)33-31(40)36(30(32)39)26-7-4-3-5-8-26)20-34-17-23-15-25(19-34)27-9-6-10-28(37)35(27)18-23/h3-14,21,23,25H,15-20H2,1-2H3,(H,33,38,40)/t23-,25?,32?/m0/s1
InChIKey
TYSSDOSRRAGTPQ-ISKOMLPYSA-N
Synonyms

5(((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1phenyl5(4(propan2yl)benzyl)pyrimidine246(1H3H5H)trione
5(4isopropylbenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
CC(c1ccc(cc1)CC1(CN2C(C@H)3CC(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1)C
InChI=1SC32H34N4O4c121(2)24131122(121424)1632(29(38)3331(40)36(30(32)39)267435826)203417231525(1934)27961028(37)35(27)1823h314212325H1520H212H3(H333840)t2325?32?m0s1
MFCD02115438
ZINC000002118379
ZINC000252695033

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Available files

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