Vitas-M small molecule compound

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

Catalog ID
STL232503
SMILES CCOc1ccc(cc1)NC(=O)C(C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)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 C26H35N3O5S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35N3O5S/c1-5-34-22-10-8-21(9-11-22)27-26(31)24(18(2)3)28-25(30)20-14-16-29(17-15-20)35(32,33)23-12-6-19(4)7-13-23/h6-13,18,20,24H,5,14-17H2,1-4H3,(H,27,31)(H,28,30)
InChIKey
AMQAAAWKNXTYMV-UHFFFAOYSA-N
Synonyms

(S)N(1((4ethoxyphenyl)amino)3methyl1oxobutan2yl)1tosylpiperidine4carboxamide
CCOC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
CCOc1ccc(cc1)NC(=O)(C@H)(C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
InChI=1SC26H35N3O5Sc15342210821(91122)2726(31)24(18(2)3)2825(30)20141629(171520)35(3233)2312619(4)71323h613182024H51417H214H3(H2731)(H2830)
MFCD24858275
N(1((4ethoxyphenyl)amino)3methyl1oxobutan2yl)1((4methylphenyl)sulfonyl)piperidine4carboxamide
N(1((4ETHOXYPHENYL)CARBAMOYL)2METHYLPROPYL)1((4METHYLPHENYL)SULFONYL)PIPERIDINE4CARBOXAMIDE
N(1(4ETHOXYANILINO)3METHYL1OXOBUTAN2YL)1(4METHYLPHENYL)SULFONYLPIPERIDINE4CARBOXAMIDE
ZINC000013749462
ZINC000015987125

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Available files

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