Vitas-M small molecule compound

N-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-valine

Catalog ID
STK716980
SMILES O=C([C@@H](n1nnc2c(c1=O)cccc2)C)N[C@H](C(=O)O)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 C15H18N4O4 MW 318.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O4/c1-8(2)12(15(22)23)16-13(20)9(3)19-14(21)10-6-4-5-7-11(10)17-18-19/h4-9,12H,1-3H3,(H,16,20)(H,22,23)/t9-,12-/m0/s1
InChIKey
NNOKWCXHLLNIEA-CABZTGNLSA-N
Synonyms
1173678-23-3
(2S)3METHYL2(((2S)2(4OXO123BENZOTRIAZIN3YL)PROPANOYL)AMINO)BUTANOICACID
(S)3methyl2((S)2(4oxobenzo(d)(123)triazin3(4H)yl)propanamido)butanoicacid
1173678233
CC(C)C(C(=O)O)NC(=O)C(C)N1C(=O)C2=CC=CC=C2N=N1
InChI=1SC15H18N4O4c18(2)12(15(22)23)1613(20)9(3)1914(21)10645711(10)171819h4912H13H3(H1620)(H2223)t912m0s1
MFCD06596622
N((2S)2(4oxo123benzotriazin3(4H)yl)propanoyl)Lvaline
O=C((C@@H)(n1nnc2c(c1=O)cccc2)C)N(C@H)(C(=O)O)C(C)C
ZINC000002205072
ZINC2205072

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Available files

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