Vitas-M small molecule compound

(2S,3R)-2-((1S,4S)-4-(((S)-2-((tert-butoxycarbonyl)amino)propanamido)methyl)cyclohexanecarboxamido)-3-methylpentanoic acid

Catalog ID
STL530860
SMILES CCC([C@@H](C(=O)O)NC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)[C@@H](NC(=O)OC(C)(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 C22H39N3O6 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H39N3O6/c1-7-13(2)17(20(28)29)25-19(27)16-10-8-15(9-11-16)12-23-18(26)14(3)24-21(30)31-22(4,5)6/h13-17H,7-12H2,1-6H3,(H,23,26)(H,24,30)(H,25,27)(H,28,29)/t13?,14-,15-,16-,17-/m0/s1
InChIKey
SZPHHKGIDOFWOT-QKSACFKYSA-N
Synonyms

(2S3R)2((1R4S)4(((R)2((tertbutoxycarbonyl)amino)propanamido)methyl)cyclohexanecarboxamido)3methylpentanoicacid
CCC((C@@H)(C(=O)O)NC(=O)(C@@H)1CC(C@H)(CC1)CNC(=O)(C@H)(NC(=O)OC(C)(C)C)C)C
InChI=1SC22H39N3O6c1713(2)17(20(28)29)2519(27)1610815(91116)122318(26)14(3)2421(30)3122(45)6h1317H712H216H3(H2326)(H2430)(H2527)(H2829)t13?14151617m0s1
ZINC000252695008
ZINC000252695010

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Available files

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