Vitas-M small molecule compound

6-{2-oxo-2-[(1S,5R)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione

Catalog ID
STL549736
SMILES O=C(N1C[C@H]2C[C@@H](C1)C1N(C2)C(=O)CCC1)CN1C(=O)c2ccccc2N2C1c1ccccc1C2=O

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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 C28H28N4O4 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4/c33-24-11-5-10-22-18-12-17(14-30(22)24)13-29(15-18)25(34)16-31-26-19-6-1-2-7-20(19)28(36)32(26)23-9-4-3-8-21(23)27(31)35/h1-4,6-9,17-18,22,26H,5,10-16H2/t17-,18+,22?,26?/m0/s1
InChIKey
ZJIBLKPFXIOJKK-WJMVBUTBSA-N
Synonyms

6(2oxo2((1R5S)8oxohexahydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)66adihydroisoindolo(21a)quinazoline511dione
6(2oxo2((1S5R)8oxooctahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)66adihydroisoindolo(21a)quinazoline511dione
InChI=1SC28H28N4O4c33241151022181217(1430(22)24)1329(1518)25(34)16312619612720(19)28(36)32(26)23943821(23)27(31)35h146917182226H51016H2t1718+22?26?m0s1
ZINC000604405338
ZINC000604405342

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Available files

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