Vitas-M small molecule compound
1,3-dimethyl-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-5-[4-(propan-2-yloxy)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL525976
SMILES CC(Oc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)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 C28H34N4O5 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O5/c1-18(2)37-22-10-8-19(9-11-22)13-28(25(34)29(3)27(36)30(4)26(28)35)17-31-14-20-12-21(16-31)23-6-5-7-24(33)32(23)15-20/h5-11,18,20-21H,12-17H2,1-4H3/t20-,21+/m0/s1InChIKey
DYCDENDPVZVNHK-LEWJYISDSA-NSynonyms
13dimethyl5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)5(4(propan2yloxy)benzyl)pyrimidine246(1H3H5H)trione
5(4isopropoxybenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
CC(Oc1ccc(cc1)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)C
InChI=1SC28H34N4O5c118(2)372210819(91122)1328(25(34)29(3)27(36)30(4)26(28)35)173114201221(1631)2365724(33)32(23)1520h511182021H1217H214H3t2021+m0s1
MFCD01546734
ZINC000019703443
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