Vitas-M small molecule compound

N~5~-carbamoyl-N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-ornithine

Catalog ID
STK592489
SMILES NC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)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 C18H24N6O5 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O5/c1-10(2)14(24-16(26)11-6-3-4-7-12(11)22-23-24)15(25)21-13(17(27)28)8-5-9-20-18(19)29/h3-4,6-7,10,13-14H,5,8-9H2,1-2H3,(H,21,25)(H,27,28)(H3,19,20,29)/t13-,14-/m0/s1
InChIKey
BMNYMIIQKLCWBX-KBPBESRZSA-N
Synonyms
1014089-86-1
(2S)5(CARBAMOYLAMINO)2(((2S)3METHYL2(4OXO123BENZOTRIAZIN3YL)BUTANOYL)AMINO)PENTANOICACID
(S)2((S)3methyl2(4oxobenzo(d)(123)triazin3(4H)yl)butanamido)5ureidopentanoicacid
1014089861
CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1
InChI=1SC18H24N6O5c110(2)14(2416(26)11634712(11)222324)15(25)2113(17(27)28)8592018(19)29h3467101314H589H212H3(H2125)(H2728)(H3192029)t1314m0s1
MFCD06591379
N~5~carbamoylN~2~((2S)3methyl2(4oxo123benzotriazin3(4H)yl)butanoyl)Lornithine
N5CARBAMOYLN2((2S)3METHYL2(4OXO123BENZOTRIAZIN3(4H)YL)BUTANOYL)LORNITHINE
NC(=O)NCCC(C@@H)(C(=O)O)NC(=O)(C@@H)(n1nnc2c(c1=O)cccc2)C(C)C
ZINC000002430595
ZINC2430595

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.