Vitas-M small molecule compound
(2S,3R)-3-methyl-2-(1-((S)-2-(4-methylphenylsulfonamido)-4-(methylthio)butanoyl)piperidine-4-carboxamido)pentanoic acid
Catalog ID
STL563149
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](C(CC)C)C(=O)O)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 C24H37N3O6S2 MW 527.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H37N3O6S2/c1-5-17(3)21(24(30)31)25-22(28)18-10-13-27(14-11-18)23(29)20(12-15-34-4)26-35(32,33)19-8-6-16(2)7-9-19/h6-9,17-18,20-21,26H,5,10-15H2,1-4H3,(H,25,28)(H,30,31)/t17?,20-,21-/m0/s1InChIKey
KQVDNWJMACTHOH-FUKGKQRISA-NSynonyms
957024-20-3(2S)3methyl2((1((2S)2((4methylphenyl)sulfonylamino)4methylsulfanylbutanoyl)piperidine4carbonyl)amino)pentanoicacid
(2S3R)3methyl2(1((S)2(4methylphenylsulfonamido)4(methylthio)butanoyl)piperidine4carboxamido)pentanoicacid
16400570
957024203
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@@H)(C(CC)C)C(=O)O)NS(=O)(=O)c1ccc(cc1)C
InChI=1SC24H37N3O6S2c1517(3)21(24(30)31)2522(28)18101327(141118)23(29)20(1215344)2635(3233)198616(2)7919h691718202126H51015H214H3(H2528)(H3031)t17?2021m0s1
ZINC000008918293
ZINC000012865151
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