Vitas-M small molecule compound

tert-butyl (3S)-3-({(2S)-1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK574178
SMILES O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)NC(c1ccccc1)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 C26H33N3O4 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O4/c1-17(19-11-7-6-8-12-19)27-23(30)18(2)28-24(31)22-15-20-13-9-10-14-21(20)16-29(22)25(32)33-26(3,4)5/h6-14,17-18,22H,15-16H2,1-5H3,(H,27,30)(H,28,31)/t17?,18-,22-/m0/s1
InChIKey
YVEPPTDVXKZWJT-RBENRJQXSA-N
Synonyms
1014001-09-2
(3S)tertbutyl3(((2S)1oxo1((1phenylethyl)amino)propan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014001092
CC(C1=CC=CC=C1)NC(=O)C(C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC26H33N3O4c117(19117681219)2723(30)18(2)2824(31)221520139101421(20)1629(22)25(32)3326(34)5h614171822H1516H215H3(H2730)(H2831)t17?1822m0s1
MFCD06773868
O=C((C@@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)NC(c1ccccc1)C
tertbutyl(3S)3(((2S)1oxo1((1phenylethyl)amino)propan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)1oxo1(1phenylethylamino)propan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009450101
ZINC000009450106

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Available files

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