Vitas-M small molecule compound
(2S,3S)-2-(1-((2S,3R)-2-((tert-butoxycarbonyl)amino)-3-methylpentanoyl)piperidine-4-carboxamido)-3-hydroxybutanoic acid
Catalog ID
STL533060
SMILES CCC([C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)C(O)C)NC(=O)OC(C)(C)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 C21H37N3O7 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H37N3O7/c1-7-12(2)15(23-20(30)31-21(4,5)6)18(27)24-10-8-14(9-11-24)17(26)22-16(13(3)25)19(28)29/h12-16,25H,7-11H2,1-6H3,(H,22,26)(H,23,30)(H,28,29)/t12?,13?,15-,16-/m0/s1InChIKey
NXADUFFZUKDORH-BGHVQYPCSA-NSynonyms
956944-44-8(2~(S))3hydroxy2((1((2~(S))3methyl2((2methylpropan2yl)oxycarbonylamino)pentanoyl)piperidine4carbonyl)amino)butanoicacid
(2S3S)2(1((2S3S)2((tertbutoxycarbonyl)amino)3methylpentanoyl)piperidine4carboxamido)3hydroxybutanoicacid
16400708
956944448
CCC((C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)C(O)C)NC(=O)OC(C)(C)C)C
InChI=1SC21H37N3O7c1712(2)15(2320(30)3121(45)6)18(27)2410814(91124)17(26)2216(13(3)25)19(28)29h121625H711H216H3(H2226)(H2330)(H2829)t12?13?1516m0s1
ZINC000008918351
ZINC000012865807
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