Vitas-M small molecule compound

(R)-2-(1-((2S,3S)-2-((tert-butoxycarbonyl)amino)-3-methylpentanoyl)piperidine-4-carboxamido)-3-(methylthio)propanoic acid

Catalog ID
STL003718
SMILES CSC[C@@H](C(=O)O)NC(=O)C1CCN(CC1)C(=O)[C@H](C(CC)C)NC(=O)OC(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 C21H37N3O6S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H37N3O6S/c1-7-13(2)16(23-20(29)30-21(3,4)5)18(26)24-10-8-14(9-11-24)17(25)22-15(12-31-6)19(27)28/h13-16H,7-12H2,1-6H3,(H,22,25)(H,23,29)(H,27,28)/t13?,15-,16-/m0/s1
InChIKey
FGQBGZFYQOMXDI-FMYDAXTQSA-N
Synonyms
956942-09-9
(2R)2((1((2S)3methyl2((2methylpropan2yl)oxycarbonylamino)pentanoyl)piperidine4carbonyl)amino)3methylsulfanylpropanoicacid
(R)2(1((2S3S)2((tertbutoxycarbonyl)amino)3methylpentanoyl)piperidine4carboxamido)3(methylthio)propanoicacid
956942099
CCC(C)C(C(=O)N1CCC(CC1)C(=O)NC(CSC)C(=O)O)NC(=O)OC(C)(C)C
CSC(C@@H)(C(=O)O)NC(=O)C1CCN(CC1)C(=O)(C@H)(C(CC)C)NC(=O)OC(C)(C)C
InChI=1SC21H37N3O6Sc1713(2)16(2320(29)3021(34)5)18(26)2410814(91124)17(25)2215(12316)19(27)28h1316H712H216H3(H2225)(H2329)(H2728)t13?1516m0s1
MFCD05671953
ZINC000008918376
ZINC000012866068

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Available files

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