Vitas-M small molecule compound

(S)-2-((2S,3R)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-methylpentanamido)-4-(methylthio)butanoic acid

Catalog ID
STL529645
SMILES CSCC[C@@H](C(=O)O)NC(=O)[C@H](C(CC)C)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1

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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 C28H43N3O6S MW 549.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43N3O6S/c1-7-19(2)22(23(32)29-21(24(33)34)13-18-38-6)30-25(35)28(20-11-9-8-10-12-20)14-16-31(17-15-28)26(36)37-27(3,4)5/h8-12,19,21-22H,7,13-18H2,1-6H3,(H,29,32)(H,30,35)(H,33,34)/t19?,21-,22-/m0/s1
InChIKey
DRJMEEXDIZBUDE-GFUWAVFVSA-N
Synonyms
956151-18-1
(2~(S))2(((2~(S))3methyl2((1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)amino)pentanoyl)amino)4methylsulfanylbutanoicacid
(S)2((2S3R)2(1(tertbutoxycarbonyl)4phenylpiperidine4carboxamido)3methylpentanamido)4(methylthio)butanoicacid
16405283
956151181
CSCC(C@@H)(C(=O)O)NC(=O)(C@H)(C(CC)C)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
InChI=1SC28H43N3O6Sc1719(2)22(23(32)2921(24(33)34)1318386)3025(35)28(201198101220)141631(171528)26(36)3727(34)5h812192122H71318H216H3(H2932)(H3035)(H3334)t19?2122m0s1
ZINC000070701570
ZINC000070701572

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Available files

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