Vitas-M small molecule compound

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

Catalog ID
STK567734
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(c(c1)F)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 C24H29F2N3O4S MW 493.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29F2N3O4S/c1-15(2)22(24(31)27-18-6-9-20(25)21(26)14-18)28-23(30)17-10-12-29(13-11-17)34(32,33)19-7-4-16(3)5-8-19/h4-9,14-15,17,22H,10-13H2,1-3H3,(H,27,31)(H,28,30)/t22-/m0/s1
InChIKey
KUVSJCUQHGDCKD-QFIPXVFZSA-N
Synonyms
1013750-90-7
(S)N(1((34difluorophenyl)amino)3methyl1oxobutan2yl)1tosylpiperidine4carboxamide
1013750907
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)F)F
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1ccc(c(c1)F)F)C(C)C
InChI=1SC24H29F2N3O4Sc115(2)22(24(31)27186920(25)21(26)1418)2823(30)17101229(131117)34(3233)197416(3)5819h4914151722H1013H213H3(H2731)(H2830)t22m0s1
MFCD04016319
N((2S)1((34difluorophenyl)amino)3methyl1oxobutan2yl)1((4methylphenyl)sulfonyl)piperidine4carboxamide
N((2S)1(34difluoroanilino)3methyl1oxobutan2yl)1(4methylphenyl)sulfonylpiperidine4carboxamide
ZINC000009459228
ZINC09459228
ZINC9459228

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Available files

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