Vitas-M small molecule compound

ethyl 1-{N-[(4-hydroxyphthalazin-1-yl)acetyl]alanyl}piperidine-4-carboxylate

Catalog ID
STK646343
SMILES CCOC(=O)C1CCN(CC1)C(=O)C(NC(=O)Cc1nnc(c2c1cccc2)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 C21H26N4O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5/c1-3-30-21(29)14-8-10-25(11-9-14)20(28)13(2)22-18(26)12-17-15-6-4-5-7-16(15)19(27)24-23-17/h4-7,13-14H,3,8-12H2,1-2H3,(H,22,26)(H,24,27)
InChIKey
UPYGITYLRCITFO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1CCN(CC1)C(=O)C(C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32
ethyl1(2((2(4oxo3Hphthalazin1yl)acetyl)amino)propanoyl)piperidine4carboxylate
ethyl1(N((4hydroxyphthalazin1yl)acetyl)alanyl)piperidine4carboxylate
InChI=1SC21H26N4O5c133021(29)1481025(11914)20(28)13(2)2218(26)121715645716(15)19(27)242317h471314H3812H212H3(H2226)(H2427)
MFCD18164215
ZINC000012389116
ZINC000036575633

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Available files

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