Vitas-M small molecule compound

N-{(2S)-1-[(2-methoxybenzyl)amino]-3-methyl-1-oxobutan-2-yl}-1-(phenylsulfonyl)piperidine-4-carboxamide

Catalog ID
STK610285
SMILES COc1ccccc1CNC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1

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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 C25H33N3O5S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O5S/c1-18(2)23(25(30)26-17-20-9-7-8-12-22(20)33-3)27-24(29)19-13-15-28(16-14-19)34(31,32)21-10-5-4-6-11-21/h4-12,18-19,23H,13-17H2,1-3H3,(H,26,30)(H,27,29)/t23-/m0/s1
InChIKey
ZRLHWPKANZNDNP-QHCPKHFHSA-N
Synonyms
1014083-90-9
(S)N(1((2methoxybenzyl)amino)3methyl1oxobutan2yl)1(phenylsulfonyl)piperidine4carboxamide
1(benzenesulfonyl)N((2S)1((2methoxyphenyl)methylamino)3methyl1oxobutan2yl)piperidine4carboxamide
1014083909
CC(C)C(C(=O)NCC1=CC=CC=C1OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
COc1ccccc1CNC(=O)(C@H)(C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1
InChI=1SC25H33N3O5Sc118(2)23(25(30)2617209781222(20)333)2724(29)19131528(161419)34(3132)21105461121h412181923H1317H213H3(H2630)(H2729)t23m0s1
MFCD08292278
N((2S)1((2methoxybenzyl)amino)3methyl1oxobutan2yl)1(phenylsulfonyl)piperidine4carboxamide
ZINC000013609249
ZINC13609249

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Available files

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