Vitas-M small molecule compound
N-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-isoleucine
Catalog ID
STK716982
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)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 C16H20N4O4 MW 332.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O4/c1-4-9(2)13(16(23)24)17-14(21)10(3)20-15(22)11-7-5-6-8-12(11)18-19-20/h5-10,13H,4H2,1-3H3,(H,17,21)(H,23,24)/t9-,10+,13+/m1/s1InChIKey
LQWFSQFPJNMSEA-NRUUGDAUSA-NSynonyms
(2S3R)3METHYL2(((2S)2(4OXO123BENZOTRIAZIN3YL)PROPANOYL)AMINO)PENTANOICACID
(2S3R)3methyl2((S)2(4oxobenzo(d)(123)triazin3(4H)yl)propanamido)pentanoicacid
CC(C@H)((C@@H)(C(=O)O)NC(=O)(C@@H)(n1nnc2c(c1=O)cccc2)C)C
CCC((C@@H)(C(=O)O)NC(=O)(C@@H)(n1nnc2c(c1=O)cccc2)C)C
CCC(C)C(C(=O)O)NC(=O)C(C)N1C(=O)C2=CC=CC=C2N=N1
InChI=1SC16H20N4O4c149(2)13(16(23)24)1714(21)10(3)2015(22)11756812(11)181920h51013H4H213H3(H1721)(H2324)t910+13+m1s1
MFCD13371561
N((2S)2(4oxo123benzotriazin3(4H)yl)propanoyl)Lisoleucine
ZINC000002212219
ZINC2212219
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