Vitas-M small molecule compound

(3S)-N-{(2S)-4-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]pentan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STK594500
SMILES CC(C[C@@H](C(=O)NCC1CCCO1)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 C21H31N3O3 MW 373.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O3/c1-14(2)10-19(20(25)23-13-17-8-5-9-27-17)24-21(26)18-11-15-6-3-4-7-16(15)12-22-18/h3-4,6-7,14,17-19,22H,5,8-13H2,1-2H3,(H,23,25)(H,24,26)/t17?,18-,19-/m0/s1
InChIKey
XEPMBUIGQIHSGV-MNNMKWMVSA-N
Synonyms

(3S)N((2S)4methyl1oxo1(((tetrahydrofuran2yl)methyl)amino)pentan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
(3S)N((2S)4methyl1oxo1((tetrahydrofuran2ylmethyl)amino)pentan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)4methyl1oxo1(oxolan2ylmethylamino)pentan2yl)1234tetrahydroisoquinoline3carboxamide
CC(C)CC(C(=O)NCC1CCCO1)NC(=O)C2CC3=CC=CC=C3CN2
InChI=1SC21H31N3O3c114(2)1019(20(25)2313178592717)2421(26)181115634716(15)122218h346714171922H5813H212H3(H2325)(H2426)t17?1819m0s1
MFCD06782773
ZINC000035380433
ZINC000035380437

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Available files

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