Vitas-M small molecule compound

Catalog ID
STK604941
SMILES CCC([C@@H](C(=O)N1CCC(CC1)C(=O)N)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)F)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 C23H31FN4O4 MW 446.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31FN4O4/c1-3-14(2)20(23(32)27-10-8-15(9-11-27)21(25)30)26-22(31)16-12-19(29)28(13-16)18-6-4-17(24)5-7-18/h4-7,14-16,20H,3,8-13H2,1-2H3,(H2,25,30)(H,26,31)/t14?,16?,20-/m0/s1
InChIKey
JAQOPFGIABGLHP-SGHGTVFPSA-N
Synonyms
1014042-53-5
1((2S)2((1(4fluorophenyl)5oxopyrrolidine3carbonyl)amino)3methylpentanoyl)piperidine4carboxamide
1((2S3R)2(1(4fluorophenyl)5oxopyrrolidine3carboxamido)3methylpentanoyl)piperidine4carboxamide
1014042535
CCC((C@@H)(C(=O)N1CCC(CC1)C(=O)N)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)F)C
CCC(C)C(C(=O)N1CCC(CC1)C(=O)N)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F
InChI=1SC23H31FN4O4c1314(2)20(23(32)2710815(91127)21(25)30)2622(31)161219(29)28(1316)186417(24)5718h47141620H3813H212H3(H22530)(H2631)t14?16?20m0s1
MFCD18246183
ZINC000008971166
ZINC000013555060

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Available files

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