Vitas-M small molecule compound

methyl N-{[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl}leucinate

Catalog ID
STK630459
SMILES COC(=O)C(NC(=O)N1CCC(CC1)c1nc2c([nH]1)cccc2)CC(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 C20H28N4O3 MW 372.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O3/c1-13(2)12-17(19(25)27-3)23-20(26)24-10-8-14(9-11-24)18-21-15-6-4-5-7-16(15)22-18/h4-7,13-14,17H,8-12H2,1-3H3,(H,21,22)(H,23,26)
InChIKey
FZBONFCXEYMEHW-UHFFFAOYSA-N
Synonyms

CC(C)CC(C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2
COC(=O)C(NC(=O)N1CCC(CC1)c1nc2c((nH)1)cccc2)CC(C)C
InChI=1SC20H28N4O3c113(2)1217(19(25)273)2320(26)2410814(91124)182115645716(15)2218h47131417H812H213H3(H2122)(H2326)
methyl2((4(1Hbenzimidazol2yl)piperidine1carbonyl)amino)4methylpentanoate
methyl2(4(1Hbenzo(d)imidazol2yl)piperidine1carboxamido)4methylpentanoate
methylN((4(1Hbenzimidazol2yl)piperidin1yl)carbonyl)leucinate
MFCD08744523
ZINC000009059717
ZINC000009059718

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Available files

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