Vitas-M small molecule compound
(S)-3-(4-hydroxyphenyl)-2-(1-((2S,3R)-3-methyl-2-(4-methylphenylsulfonamido)pentanoyl)piperidine-4-carboxamido)propanoic acid
Catalog ID
STL529099
SMILES CCC([C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)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 C28H37N3O7S MW 559.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O7S/c1-4-19(3)25(30-39(37,38)23-11-5-18(2)6-12-23)27(34)31-15-13-21(14-16-31)26(33)29-24(28(35)36)17-20-7-9-22(32)10-8-20/h5-12,19,21,24-25,30,32H,4,13-17H2,1-3H3,(H,29,33)(H,35,36)/t19?,24-,25-/m0/s1InChIKey
AKEBDWOVXLNCKY-MTSQGGNFSA-NSynonyms
956914-67-3(2~(S))3(4hydroxyphenyl)2((1((2~(S))3methyl2((4methylphenyl)sulfonylamino)pentanoyl)piperidine4carbonyl)amino)propanoicacid
(S)3(4hydroxyphenyl)2(1((2S3R)3methyl2(4methylphenylsulfonamido)pentanoyl)piperidine4carboxamido)propanoicacid
16404163
956914673
CCC((C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)Cc1ccc(cc1)O)NS(=O)(=O)c1ccc(cc1)C)C
InChI=1SC28H37N3O7Sc1419(3)25(3039(3738)2311518(2)61223)27(34)31151321(141631)26(33)2924(28(35)36)17207922(32)10820h512192124253032H41317H213H3(H2933)(H3536)t19?2425m0s1
ZINC000070700079
ZINC000070700082
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