Vitas-M small molecule compound

1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-2-pentylhexane-1,5-dione

Catalog ID
STL562244
SMILES CCCCCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCC(=O)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 C22H32N2O3 MW 372.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O3/c1-3-4-5-7-18(11-10-16(2)25)22(27)23-13-17-12-19(15-23)20-8-6-9-21(26)24(20)14-17/h6,8-9,17-19H,3-5,7,10-15H2,1-2H3/t17-,18?,19-/m0/s1
InChIKey
RKJOSJUBKIBQLT-JVUMBYKBSA-N
Synonyms
1212458-66-6
1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)2pentylhexane15dione
1((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)2pentylhexane15dione
1((1S9S)6oxo711diazatricyclo(731027)trideca24dien11yl)2pentylhexane15dione
1212458666
16395146
CCCCCC(C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)CCC(=O)C
InChI=1SC22H32N2O3c1345718(111016(2)25)22(27)2313171219(1523)2086921(26)24(20)1417h6891719H3571015H212H3t1718?19m0s1
MFCD01543810
ZINC000002099667
ZINC000002099669

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Available files

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