Vitas-M small molecule compound

N-{(2S)-1-[(4-fluorobenzyl)amino]-3-methyl-1-oxobutan-2-yl}-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide

Catalog ID
STK597586
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NCc1ccc(cc1)F)C(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 C25H32FN3O4S MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32FN3O4S/c1-17(2)23(25(31)27-16-19-6-8-21(26)9-7-19)28-24(30)20-12-14-29(15-13-20)34(32,33)22-10-4-18(3)5-11-22/h4-11,17,20,23H,12-16H2,1-3H3,(H,27,31)(H,28,30)/t23-/m0/s1
InChIKey
PJPLJVJDGWGXNU-QHCPKHFHSA-N
Synonyms
1013804-53-9
(S)N(1((4fluorobenzyl)amino)3methyl1oxobutan2yl)1tosylpiperidine4carboxamide
1013804539
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NCC3=CC=C(C=C3)F
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)NCc1ccc(cc1)F)C(C)C
InChI=1SC25H32FN3O4Sc117(2)23(25(31)2716196821(26)9719)2824(30)20121429(151320)34(3233)2210418(3)51122h411172023H1216H213H3(H2731)(H2830)t23m0s1
MFCD04007552
N((2S)1((4fluorobenzyl)amino)3methyl1oxobutan2yl)1((4methylphenyl)sulfonyl)piperidine4carboxamide
N((2S)1((4fluorophenyl)methylamino)3methyl1oxobutan2yl)1(4methylphenyl)sulfonylpiperidine4carboxamide
ZINC000009463482
ZINC09463482
ZINC9463482

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Available files

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