Vitas-M small molecule compound

methyl N-{[4-(4-bromophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-phenylalaninate

Catalog ID
STK660108
SMILES COC(=O)[C@@H](NC(=O)N1CCc2c(C1c1ccc(cc1)Br)nc[nH]2)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 C23H23BrN4O3 MW 483.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN4O3/c1-31-22(29)19(13-15-5-3-2-4-6-15)27-23(30)28-12-11-18-20(26-14-25-18)21(28)16-7-9-17(24)10-8-16/h2-10,14,19,21H,11-13H2,1H3,(H,25,26)(H,27,30)/t19-,21?/m0/s1
InChIKey
QLEZWMBSJJAGKY-ZQRQZVKFSA-N
Synonyms
1212451-67-6
(2S)methyl2(4(4bromophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)3phenylpropanoate
1212451676
COC(=O)(C@@H)(NC(=O)N1CCc2c(C1c1ccc(cc1)Br)(nH)cn2)Cc1ccccc1
COC(=O)(C@@H)(NC(=O)N1CCc2c(C1c1ccc(cc1)Br)nc(nH)2)Cc1ccccc1
COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCC3=C(C2C4=CC=C(C=C4)Br)N=CN3
InChI=1SC23H23BrN4O3c13122(29)19(13155324615)2723(30)2812111820(26142518)21(28)167917(24)10816h210141921H1113H21H3(H2526)(H2730)t1921?m0s1
methyl(2S)2((4(4bromophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)3phenylpropanoate
methylN((4(4bromophenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)Lphenylalaninate
MFCD18168952
ZINC000031809667
ZINC000031809672

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Available files

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