Vitas-M small molecule compound

Catalog ID
STK017954
SMILES [O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.O=C(Nc1c2ccccc2nc2c1CC[NH+]2Cc1ccccc1)C[NH+]1CCCCC1

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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 C29H32N4O9 MW 580.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O.2C2H2O4/c30-23(18-28-14-7-2-8-15-28)27-24-20-11-5-6-12-22(20)26-25-21(24)13-16-29(25)17-19-9-3-1-4-10-19;2*3-1(4)2(5)6/h1,3-6,9-12H,2,7-8,13-18H2,(H,26,27,30);2*(H,3,4)(H,5,6)
InChIKey
HAEZIEXDLNAZMX-UHFFFAOYSA-N
Synonyms

(O)C(=O)C(=O)O(O)C(=O)C(=O)OO=C(Nc1c2ccccc2nc2c1CC(NH+)2Cc1ccccc1)C(NH+)1CCCCC1
C1CCN(CC1)CC(=O)NC2=C3CCN(C3=NC4=CC=CC=C42)CC5=CC=CC=C5C(=O)(C(=O)O)OC(=O)(C(=O)O)O
InChI=1SC25H28N4O2C2H2O4c3023(1828147281528)27242011561222(20)262521(24)131629(25)1719931410192*31(4)2(5)6h136912H2781318H2(H262730)2*(H34)(H56)
MFCD00306278
N(1benzyl23dihydropyrrolo(23b)quinolin4yl)2piperidin1ylacetamideoxalicacid
STK017954
ZINC000002255623

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.