Vitas-M small molecule compound

tert-butyl N-[(1-{[(4-methylphenyl)sulfonyl]amino}cyclohexyl)carbonyl]-D-alaninate

Catalog ID
STL553444
SMILES O=C([C@@H](NC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(cc1)C)C)OC(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 C21H32N2O5S MW 424.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O5S/c1-15-9-11-17(12-10-15)29(26,27)23-21(13-7-6-8-14-21)19(25)22-16(2)18(24)28-20(3,4)5/h9-12,16,23H,6-8,13-14H2,1-5H3,(H,22,25)/t16-/m1/s1
InChIKey
IAIWRCIFKMZRAQ-MRXNPFEDSA-N
Synonyms
1008055-98-8
(R)tertbutyl2(1(4methylphenylsulfonamido)cyclohexanecarboxamido)propanoate
1008055988
InChI=1SC21H32N2O5Sc11591117(121015)29(2627)2321(137681421)19(25)2216(2)18(24)2820(34)5h9121623H681314H215H3(H2225)t16m1s1
O=C((C@H)(NC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(cc1)C)C)OC(C)(C)C
tertbutylN((1(((4methylphenyl)sulfonyl)amino)cyclohexyl)carbonyl)Dalaninate
ZINC000002109544

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Available files

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