Vitas-M small molecule compound

N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-leucine

Catalog ID
STK589487
SMILES CC(C[C@@H](C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)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 C21H28N4O4 MW 400.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4/c1-13(2)11-18(21(28)29)22-19(26)15-9-7-14(8-10-15)12-25-20(27)16-5-3-4-6-17(16)23-24-25/h3-6,13-15,18H,7-12H2,1-2H3,(H,22,26)(H,28,29)/t14?,15?,18-/m0/s1
InChIKey
HFBTYYNZKNDSJM-JMLCCBQJSA-N
Synonyms
1217457-87-8
(2S)4METHYL2((4((4OXO123BENZOTRIAZIN3YL)METHYL)CYCLOHEXANECARBONYL)AMINO)PENTANOICACID
(S)4methyl2(4((4oxobenzo(d)(123)triazin3(4H)yl)methyl)cyclohexanecarboxamido)pentanoicacid
1217457878
CC(C(C@@H)(C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C
CC(C)CC(C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=N2
InChI=1SC21H28N4O4c113(2)1118(21(28)29)2219(26)159714(81015)122520(27)16534617(16)232425h36131518H712H212H3(H2226)(H2829)t14?15?18m0s1
MFCD06612252
N((4((4oxo123benzotriazin3(4H)yl)methyl)cyclohexyl)carbonyl)Lleucine
ZINC000005443456
ZINC5443456

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Available files

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