Vitas-M small molecule compound

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

Catalog ID
STK610563
SMILES NC(=N)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 C18H25N7O4 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N7O4/c1-10(2)14(25-16(27)11-6-3-4-7-12(11)23-24-25)15(26)22-13(17(28)29)8-5-9-21-18(19)20/h3-4,6-7,10,13-14H,5,8-9H2,1-2H3,(H,22,26)(H,28,29)(H4,19,20,21)/t13-,14-/m0/s1
InChIKey
XVBIFBXVSZPFNL-KBPBESRZSA-N
Synonyms
1013782-35-8
(2S)5(DIAMINOMETHYLIDENEAMINO)2(((2S)3METHYL2(4OXO123BENZOTRIAZIN3YL)BUTANOYL)AMINO)PENTANOICACID
(2S)5(DIAMINOMETHYLIDENEAZANIUMYL)2(((2S)3METHYL2(4OXO123BENZOTRIAZIN3YL)BUTANOYL)AMINO)PENTANOATE
(S)5guanidino2((S)3methyl2(4oxobenzo(d)(123)triazin3(4H)yl)butanamido)pentanoicacid
1013782358
CC(C)C(C(=O)NC(CCC(NH+)=C(N)N)C(=O)(O))N1C(=O)C2=CC=CC=C2N=N1
InChI=1SC18H25N7O4c110(2)14(2516(27)11634712(11)232425)15(26)2213(17(28)29)8592118(19)20h3467101314H589H212H3(H2226)(H2829)(H4192021)t1314m0s1
MFCD06609849
N~2~((2S)3methyl2(4oxo123benzotriazin3(4H)yl)butanoyl)Larginine
N2((2S)3METHYL2(4OXO123BENZOTRIAZIN3(4H)YL)BUTANOYL)LARGININE
NC(=N)NCCC(C@@H)(C(=O)O)NC(=O)(C@@H)(n1nnc2c(c1=O)cccc2)C(C)C
ZINC000002346720
ZINC02346720
ZINC2346720

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Available files

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