Vitas-M small molecule compound

(4-benzylpiperazin-1-yl)(3-hydroxy-2-methyl-2H-1,4-benzoxazin-2-yl)methanone

Catalog ID
STK939789
SMILES OC1=Nc2ccccc2OC1(C)C(=O)N1CCN(CC1)Cc1ccccc1

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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 C21H23N3O3 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3/c1-21(19(25)22-17-9-5-6-10-18(17)27-21)20(26)24-13-11-23(12-14-24)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,25)
InChIKey
SINMOZFBJOWRGA-UHFFFAOYSA-N
Synonyms
1205625-18-8
(4benzylpiperazin1yl)(3hydroxy2methyl2H14benzoxazin2yl)methanone
1205625188
2(4benzylpiperazine1carbonyl)2methyl4H14benzoxazin3one
CC1(C(=O)NC2=CC=CC=C2O1)C(=O)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC21H23N3O3c121(19(25)22179561018(17)2721)20(26)24131123(121424)15167324816h210H1115H21H3(H2225)
MFCD18179352
ZINC000040288135
ZINC000040288136

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Available files

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