Vitas-M small molecule compound
(2S)-2-{[(1-{N-[(4-methylphenyl)sulfonyl]-L-methionyl}piperidin-4-yl)carbonyl]amino}heptanoic acid
Catalog ID
STL562977
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)CCCCC)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 C25H39N3O6S2 MW 541.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H39N3O6S2/c1-4-5-6-7-22(25(31)32)26-23(29)19-12-15-28(16-13-19)24(30)21(14-17-35-3)27-36(33,34)20-10-8-18(2)9-11-20/h8-11,19,21-22,27H,4-7,12-17H2,1-3H3,(H,26,29)(H,31,32)/t21-,22-/m0/s1InChIKey
CNYXXXHERLUVFC-VXKWHMMOSA-NSynonyms
956942-12-4(2S)2(((1(N((4methylphenyl)sulfonyl)Lmethionyl)piperidin4yl)carbonyl)amino)heptanoicacid
(2S)2((1((2S)2((4methylphenyl)sulfonylamino)4methylsulfanylbutanoyl)piperidine4carbonyl)amino)heptanoicacid
(S)2(1((S)2(4methylphenylsulfonamido)4(methylthio)butanoyl)piperidine4carboxamido)heptanoicacid
16400761
956942124
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)CCCCC)NS(=O)(=O)c1ccc(cc1)C
InChI=1SC25H39N3O6S2c1456722(25(31)32)2623(29)19121528(161319)24(30)21(1417353)2736(3334)2010818(2)91120h81119212227H471217H213H3(H2629)(H3132)t2122m0s1
MFCD05671955
ZINC000070687760
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