Vitas-M small molecule compound

methyl N-{[3-(2-methylpropyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetyl}alaninate

Catalog ID
STL313003
SMILES COC(=O)C(NC(=O)Cc1nn(CC(C)C)c(=O)c2c1cccc2)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 C18H23N3O4 MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O4/c1-11(2)10-21-17(23)14-8-6-5-7-13(14)15(20-21)9-16(22)19-12(3)18(24)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)
InChIKey
BVDJVIMNMRAWLS-UHFFFAOYSA-N
Synonyms

(S)methyl2(2(3isobutyl4oxo34dihydrophthalazin1yl)acetamido)propanoate
CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC(C)C(=O)OC
COC(=O)(C@@H)(NC(=O)Cc1nn(CC(C)C)c(=O)c2c1cccc2)C
InChI=1SC18H23N3O4c111(2)102117(23)14865713(14)15(2021)916(22)1912(3)18(24)254h581112H910H214H3(H1922)
methyl2((2(3(2methylpropyl)4oxophthalazin1yl)acetyl)amino)propanoate
methylN((3(2methylpropyl)4oxo34dihydrophthalazin1yl)acetyl)alaninate
MFCD28029858
ZINC000095475193
ZINC000095475194

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Available files

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