Vitas-M small molecule compound

(2S,3S)-3-hydroxy-2-(1-((S)-2-(4-methylphenylsulfonamido)-4-(methylthio)butanoyl)piperidine-4-carboxamido)butanoic acid

Catalog ID
STL563075
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)C(O)C)NS(=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 C22H33N3O7S2 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33N3O7S2/c1-14-4-6-17(7-5-14)34(31,32)24-18(10-13-33-3)21(28)25-11-8-16(9-12-25)20(27)23-19(15(2)26)22(29)30/h4-7,15-16,18-19,24,26H,8-13H2,1-3H3,(H,23,27)(H,29,30)/t15?,18-,19-/m0/s1
InChIKey
CCDXPQWFUOMAOR-IROOXBOJSA-N
Synonyms
956974-61-1
(2S)3hydroxy2((1((2S)2((4methylphenyl)sulfonylamino)4methylsulfanylbutanoyl)piperidine4carbonyl)amino)butanoicacid
(2S3S)3hydroxy2(1((S)2(4methylphenylsulfonamido)4(methylthio)butanoyl)piperidine4carboxamido)butanoicacid
16400807
956974611
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)C(O)C)NS(=O)(=O)c1ccc(cc1)C
InChI=1SC22H33N3O7S2c1144617(7514)34(3132)2418(1013333)21(28)2511816(91225)20(27)2319(15(2)26)22(29)30h47151618192426H813H213H3(H2327)(H2930)t15?1819m0s1
MFCD05672055
ZINC000008918403
ZINC000012866255

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Available files

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