Vitas-M small molecule compound

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

Catalog ID
STK651379
SMILES COC(=O)C[C@@H](C(=O)OC)NC(=O)N1CCc2c(C1c1ccc(cc1F)OC)nc[nH]2

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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 C20H23FN4O6 MW 434.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23FN4O6/c1-29-11-4-5-12(13(21)8-11)18-17-14(22-10-23-17)6-7-25(18)20(28)24-15(19(27)31-3)9-16(26)30-2/h4-5,8,10,15,18H,6-7,9H2,1-3H3,(H,22,23)(H,24,28)/t15-,18?/m0/s1
InChIKey
NKLDNPWHTWWIHH-BUSXIPJBSA-N
Synonyms
1212441-26-3
(2S)dimethyl2(4(2fluoro4methoxyphenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)succinate
1212441263
COC(=O)C(C@@H)(C(=O)OC)NC(=O)N1CCc2c(C1c1ccc(cc1F)OC)(nH)cn2
COC(=O)C(C@@H)(C(=O)OC)NC(=O)N1CCc2c(C1c1ccc(cc1F)OC)nc(nH)2
COC1=CC(=C(C=C1)C2C3=C(CCN2C(=O)NC(CC(=O)OC)C(=O)OC)NC=N3)F
dimethyl(2S)2((4(2fluoro4methoxyphenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)butanedioate
dimethylN((4(2fluoro4methoxyphenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)Laspartate
InChI=1SC20H23FN4O6c129114512(13(21)811)181714(22102317)6725(18)20(28)2415(19(27)313)916(26)302h458101518H679H213H3(H2223)(H2428)t1518?m0s1
MFCD18165949
ZINC000031810557
ZINC000031810566

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Available files

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