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Vitas-M small molecule compound

dibenzyl N~2~-[(benzyloxy)carbonyl]-N~5~-(N'-nitrocarbamimidoyl)-D-ornithylglycyl-D-aspartate

Catalog ID
STL552674
SMILES [O-][N+](=O)/N=C(\NCCC[C@H](C(=O)NCC(=O)N[C@@H](C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)/N

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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 C34H39N7O10 MW 705.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N7O10/c35-33(40-41(47)48)36-18-10-17-27(39-34(46)51-23-26-15-8-3-9-16-26)31(44)37-20-29(42)38-28(32(45)50-22-25-13-6-2-7-14-25)19-30(43)49-21-24-11-4-1-5-12-24/h1-9,11-16,27-28H,10,17-23H2,(H,37,44)(H,38,42)(H,39,46)(H3,35,36,40)/t27-,28-/m
InChIKey
OHABVXQLZCCZQF-VSGBNLITSA-N
Synonyms

(O)(N+)(=O)N=C(NCCC(C@H)(C(=O)NCC(=O)N(C@@H)(C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)N
(R)dibenzyl2(2((R)2(((benzyloxy)carbonyl)amino)5((Z)2nitroguanidino)pentanamido)acetamido)succinate
135640841
dibenzyl(2~(R))2((2(((2~(R))5(((~(Z))~(N)nitrocarbamimidoyl)amino)2(phenylmethoxycarbonylamino)pentanoyl)amino)acetyl)amino)butanedioate
dibenzylN~2~((benzyloxy)carbonyl)N~5~(Nnitrocarbamimidoyl)DornithylglycylDaspartate
DIBENZYLN2((BENZYLOXY)CARBONYL)N5(NNITROCARBAMIMIDOYL)DORNITHYLGLYCYLDASPARTATE
InChI=1SC34H39N7O10c3533(4041(47)48)3618101727(3934(46)512326158391626)31(44)372029(42)3828(32(45)502225136271425)1930(43)492124114151224h1911162728H101723H2(H3744)(H3842)(H3946)(H3353640)t2728m1s1
ZINC000085866975
ZINC85866975

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Available files

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