Vitas-M small molecule compound

N-[(1-{N-[(4-methylphenyl)sulfonyl]isoleucyl}piperidin-4-yl)carbonyl]valine

Catalog ID
STL342954
SMILES CCC(C(C(=O)N1CCC(CC1)C(=O)NC(C(=O)O)C(C)C)NS(=O)(=O)c1ccc(cc1)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 C24H37N3O6S MW 495.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H37N3O6S/c1-6-17(5)21(26-34(32,33)19-9-7-16(4)8-10-19)23(29)27-13-11-18(12-14-27)22(28)25-20(15(2)3)24(30)31/h7-10,15,17-18,20-21,26H,6,11-14H2,1-5H3,(H,25,28)(H,30,31)
InChIKey
GDPHYVWXATZNEZ-UHFFFAOYSA-N
Synonyms

(S)3methyl2(1((2S3S)3methyl2(4methylphenylsulfonamido)pentanoyl)piperidine4carboxamido)butanoicacid
3METHYL2((1(3METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOYL)PIPERIDINE4CARBONYL)AMINO)BUTANOICACID
CC(C@@H)((C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)C(C)C)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)N1CCC(CC1)C(=O)NC(C(C)C)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C
InChI=1SC24H37N3O6Sc1617(5)21(2634(3233)199716(4)81019)23(29)27131118(121427)22(28)2520(15(2)3)24(30)31h710151718202126H61114H215H3(H2528)(H3031)
MFCD28032489
N((1(N((4methylphenyl)sulfonyl)isoleucyl)piperidin4yl)carbonyl)valine
ZINC000004302288
ZINC000108520962

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Available files

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