Vitas-M small molecule compound
2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide
Catalog ID
STL546286
SMILES O=C(N(C[C@@H]1CCCN2[C@@H]1CCCC2)C)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 C28H32N4O3 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3/c1-29(17-19-9-8-16-30-15-7-6-13-23(19)30)25(33)18-31-26-20-10-2-3-11-21(20)28(35)32(26)24-14-5-4-12-22(24)27(31)34/h2-5,10-12,14,19,23,26H,6-9,13,15-18H2,1H3/t19-,23+,26?/m0/s1InChIKey
QERPGEQSBGGWBZ-QUCGDVCDSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(511dioxo6~(a)~(H)isoindolo(21a)quinazolin6yl)~(N)methylacetamide
110206934
2(511dioxo6a11dihydroisoindolo(21a)quinazolin6(5H)yl)NmethylN((1S9aR)octahydro2Hquinolizin1ylmethyl)acetamide
2(511DIOXOISOINDOLO(21A)QUINAZOLIN6(5H6AH11H)YL)NMETHYLN(((1S9AR)OCTAHYDRO1HQUINOLIZIN1YL)METHYL)ACETAMIDE
InChI=1SC28H32N4O3c129(171998163015761323(19)30)25(33)1831262010231121(20)28(35)32(26)2414541222(24)27(31)34h25101214192326H69131518H21H3t1923+26?m0s1
O=C(N(C(C@@H)1CCCN2(C@@H)1CCCC2)C)CN1C(=O)c2ccccc2N2C1c1ccccc1C2=O
ZINC000253412202
ZINC000253412203
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