Vitas-M small molecule compound
N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine
Catalog ID
STK716993
SMILES CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)N[C@H](C(=O)O)C(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 C17H22N4O4 MW 346.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O4/c1-9(2)13(17(24)25)18-15(22)14(10(3)4)21-16(23)11-7-5-6-8-12(11)19-20-21/h5-10,13-14H,1-4H3,(H,18,22)(H,24,25)/t13-,14-/m0/s1InChIKey
SXQQHHFQRVMVEQ-KBPBESRZSA-NSynonyms
1173680-07-3(2S)3METHYL2(((2S)3METHYL2(4OXO123BENZOTRIAZIN3YL)BUTANOYL)AMINO)BUTANOICACID
(S)3methyl2((S)3methyl2(4oxobenzo(d)(123)triazin3(4H)yl)butanamido)butanoicacid
1173680073
CC((C@H)(n1nnc2c(c1=O)cccc2)C(=O)N(C@H)(C(=O)O)C(C)C)C
CC(C)C(C(=O)O)NC(=O)C(C(C)C)N1C(=O)C2=CC=CC=C2N=N1
InChI=1SC17H22N4O4c19(2)13(17(24)25)1815(22)14(10(3)4)2116(23)11756812(11)192021h5101314H14H3(H1822)(H2425)t1314m0s1
MFCD06592782
N((2S)3methyl2(4oxo123benzotriazin3(4H)yl)butanoyl)Lvaline
ZINC000002439554
ZINC2439554
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