Vitas-M small molecule compound
2-{[(1-{N-[(4-methylphenyl)sulfonyl]-L-valyl}piperidin-4-yl)carbonyl]amino}heptanoic acid
Catalog ID
STL546400
SMILES CCCCCC(C(=O)O)NC(=O)C1CCN(CC1)C(=O)[C@H](C(C)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 C25H39N3O6S MW 509.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H39N3O6S/c1-5-6-7-8-21(25(31)32)26-23(29)19-13-15-28(16-14-19)24(30)22(17(2)3)27-35(33,34)20-11-9-18(4)10-12-20/h9-12,17,19,21-22,27H,5-8,13-16H2,1-4H3,(H,26,29)(H,31,32)/t21?,22-/m0/s1InChIKey
YXBGUENLKYUKCB-KEKNWZKVSA-NSynonyms
16400863
2(((1(N((4methylphenyl)sulfonyl)Lvalyl)piperidin4yl)carbonyl)amino)heptanoicacid
2((1((2~(S))3methyl2((4methylphenyl)sulfonylamino)butanoyl)piperidine4carbonyl)amino)heptanoicacid
2(1((S)3methyl2(4methylphenylsulfonamido)butanoyl)piperidine4carboxamido)heptanoicacid
CCCCCC(C(=O)O)NC(=O)C1CCN(CC1)C(=O)(C@H)(C(C)C)NS(=O)(=O)c1ccc(cc1)C
InChI=1SC25H39N3O6Sc1567821(25(31)32)2623(29)19131528(161419)24(30)22(17(2)3)2735(3334)2011918(4)101220h9121719212227H581316H214H3(H2629)(H3132)t21?22m0s1
ZINC000008918433
ZINC000012866578
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