Vitas-M small molecule compound

tert-butyl (3S)-3-({(2S)-3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK589042
SMILES CC([C@@H](C(=O)NCC1CCCO1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)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 C25H37N3O5 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37N3O5/c1-16(2)21(23(30)26-14-19-11-8-12-32-19)27-22(29)20-13-17-9-6-7-10-18(17)15-28(20)24(31)33-25(3,4)5/h6-7,9-10,16,19-21H,8,11-15H2,1-5H3,(H,26,30)(H,27,29)/t19?,20-,21-/m0/s1
InChIKey
BGEXADNKSAFQJM-AKQSQHNNSA-N
Synonyms
1014065-64-5
(3S)tertbutyl3(((2S)3methyl1oxo1(((tetrahydrofuran2yl)methyl)amino)butan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014065645
CC((C@@H)(C(=O)NCC1CCCO1)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
CC(C)C(C(=O)NCC1CCCO1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC25H37N3O5c116(2)21(23(30)261419118123219)2722(29)2013179671018(17)1528(20)24(31)3325(34)5h67910161921H81115H215H3(H2630)(H2729)t19?2021m0s1
MFCD07640158
tertbutyl(3S)3(((2S)3methyl1oxo1((tetrahydrofuran2ylmethyl)amino)butan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)3methyl1oxo1(oxolan2ylmethylamino)butan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009058594
ZINC000013591512

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Available files

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