Vitas-M small molecule compound

N~2~-{[trans-4-({[N-(tert-butoxycarbonyl)-L-phenylalanyl]amino}methyl)cyclohexyl]carbonyl}-D-asparagine

Catalog ID
STL532028
SMILES NC(=O)C[C@H](C(=O)O)NC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)[C@H](Cc1ccccc1)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 C26H38N4O7 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N4O7/c1-26(2,3)37-25(36)30-19(13-16-7-5-4-6-8-16)23(33)28-15-17-9-11-18(12-10-17)22(32)29-20(24(34)35)14-21(27)31/h4-8,17-20H,9-15H2,1-3H3,(H2,27,31)(H,28,33)(H,29,32)(H,30,36)(H,34,35)/t17-,18-,19-,20+/m0/s1
InChIKey
HMHBYTHXWJFQDH-LWYYNNOASA-N
Synonyms

(R)4amino2((1S4R)4(((S)2((tertbutoxycarbonyl)amino)3phenylpropanamido)methyl)cyclohexanecarboxamido)4oxobutanoicacid
InChI=1SC26H38N4O7c126(23)3725(36)3019(13167546816)23(33)28151791118(121017)22(32)2920(24(34)35)1421(27)31h481720H915H213H3(H22731)(H2833)(H2932)(H3036)(H3435)t17181920+m0s1
N~2~((trans4(((N(tertbutoxycarbonyl)Lphenylalanyl)amino)methyl)cyclohexyl)carbonyl)Dasparagine
NC(=O)C(C@H)(C(=O)O)NC(=O)(C@@H)1CC(C@H)(CC1)CNC(=O)(C@H)(Cc1ccccc1)NC(=O)OC(C)(C)C
ZINC000252694043

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Available files

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