Vitas-M small molecule compound
(S)-2-(1-((2S,3R)-2-amino-3-methylpentanoyl)piperidine-4-carboxamido)-3-(4-hydroxyphenyl)propanoic acid hydrochloride
Catalog ID
STL528798
SMILES CCC([C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)N)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 C21H31N3O5 MW 405.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O5/c1-3-13(2)18(22)20(27)24-10-8-15(9-11-24)19(26)23-17(21(28)29)12-14-4-6-16(25)7-5-14/h4-7,13,15,17-18,25H,3,8-12,22H2,1-2H3,(H,23,26)(H,28,29)/t13?,17-,18-/m0/s1InChIKey
PGXMYRNTKYMFFR-RHGDZWTLSA-NSynonyms
(2~(S))2((1((2~(S))2amino3methylpentanoyl)piperidine4carbonyl)amino)3(4hydroxyphenyl)propanoicacid
(S)2(1((2S3R)2amino3methylpentanoyl)piperidine4carboxamido)3(4hydroxyphenyl)propanoicacidhydrochloride
16402113
CCC((C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)Cc1ccc(cc1)O)N)CCl
InChI=1SC21H31N3O5c1313(2)18(22)20(27)2410815(91124)19(26)2317(21(28)29)12144616(25)7514h471315171825H381222H212H3(H2326)(H2829)t13?1718m0s1
ZINC000004082427
ZINC000008481005
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