Vitas-M small molecule compound
(2S,3S)-2-((S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanamido)-3-hydroxybutanoic acid
Catalog ID
STL531350
SMILES CC(C[C@@H](C(=O)N[C@H](C(=O)O)C(O)C)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)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 C27H41N3O7 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41N3O7/c1-17(2)16-20(22(32)29-21(18(3)31)23(33)34)28-24(35)27(19-10-8-7-9-11-19)12-14-30(15-13-27)25(36)37-26(4,5)6/h7-11,17-18,20-21,31H,12-16H2,1-6H3,(H,28,35)(H,29,32)(H,33,34)/t18?,20-,21-/m0/s1InChIKey
BRXJCHCIHOYONE-LLQWEQGGSA-NSynonyms
956948-59-7(2~(S))3hydroxy2(((2~(S))4methyl2((1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)amino)pentanoyl)amino)butanoicacid
(2S3S)2((S)2(1(tertbutoxycarbonyl)4phenylpiperidine4carboxamido)4methylpentanamido)3hydroxybutanoicacid
16404861
956948597
CC(C(C@@H)(C(=O)N(C@H)(C(=O)O)C(O)C)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C
InChI=1SC27H41N3O7c117(2)1620(22(32)2921(18(3)31)23(33)34)2824(35)27(19108791119)121430(151327)25(36)3726(45)6h7111718202131H1216H216H3(H2835)(H2932)(H3334)t18?2021m0s1
MFCD06768283
ZINC000008791051
ZINC000012885304
Check stock
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Check stock on Vitas-MAvailable files
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