Vitas-M small molecule compound

dimethyl N-{[4-(2,3-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-aspartate

Catalog ID
STK647952
SMILES COC(=O)[C@@H](NC(=O)N1CCc2c(C1c1cccc(c1F)F)nc[nH]2)CC(=O)OC

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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 C19H20F2N4O5 MW 422.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F2N4O5/c1-29-14(26)8-13(18(27)30-2)24-19(28)25-7-6-12-16(23-9-22-12)17(25)10-4-3-5-11(20)15(10)21/h3-5,9,13,17H,6-8H2,1-2H3,(H,22,23)(H,24,28)/t13-,17?/m0/s1
InChIKey
ZGZXDHNPODFMJY-CWQZNGJJSA-N
Synonyms
1212438-68-0
(2S)dimethyl2(4(23difluorophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)succinate
1212438680
COC(=O)(C@@H)(NC(=O)N1CCc2c(C1c1cccc(c1F)F)(nH)cn2)CC(=O)OC
COC(=O)(C@@H)(NC(=O)N1CCc2c(C1c1cccc(c1F)F)nc(nH)2)CC(=O)OC
COC(=O)CC(C(=O)OC)NC(=O)N1CCC2=C(C1C3=C(C(=CC=C3)F)F)N=CN2
dimethyl(2S)2((4(23difluorophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)butanedioate
dimethylN((4(23difluorophenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)Laspartate
InChI=1SC19H20F2N4O5c12914(26)813(18(27)302)2419(28)25761216(2392212)17(25)1043511(20)15(10)21h3591317H68H212H3(H2223)(H2428)t1317?m0s1
MFCD18164740
ZINC000031810507
ZINC000031810514

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Available files

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