Vitas-M small molecule compound

Catalog ID
STK591183
SMILES CCC([C@@H](C(=O)NC1CCCCC1)NC(=O)[C@H]1NCc2c(C1)cccc2)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 C22H33N3O2 MW 371.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33N3O2/c1-3-15(2)20(22(27)24-18-11-5-4-6-12-18)25-21(26)19-13-16-9-7-8-10-17(16)14-23-19/h7-10,15,18-20,23H,3-6,11-14H2,1-2H3,(H,24,27)(H,25,26)/t15?,19-,20-/m0/s1
InChIKey
MNSBETXPDYZQDN-FIRGRZAASA-N
Synonyms

(3S)N((2S)1(cyclohexylamino)3methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((2S3R)1(cyclohexylamino)3methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CCC((C@@H)(C(=O)NC1CCCCC1)NC(=O)(C@H)1NCc2c(C1)cccc2)C
CCC((C@@H)(C(=O)NC1CCCCC1)NC(=O)(C@H)1NCc2c(C1)cccc2)CCl
CCC(C)C(C(=O)NC1CCCCC1)NC(=O)C2CC3=CC=CC=C3CN2
InChI=1SC22H33N3O2c1315(2)20(22(27)2418115461218)2521(26)1913169781017(16)142319h71015182023H361114H212H3(H2427)(H2526)t15?1920m0s1
MFCD06781407
ZINC000035380323
ZINC000035485366

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Available files

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