Vitas-M small molecule compound
N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine
Catalog ID
STK591062
SMILES CC([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 C20H26N4O4 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4/c1-12(2)17(20(27)28)21-18(25)14-9-7-13(8-10-14)11-24-19(26)15-5-3-4-6-16(15)22-23-24/h3-6,12-14,17H,7-11H2,1-2H3,(H,21,25)(H,27,28)/t13?,14?,17-/m0/s1InChIKey
PDXIKLQSGYCWBV-KVULBXGLSA-NSynonyms
1217459-16-9(2S)3METHYL2((4((4OXO123BENZOTRIAZIN3YL)METHYL)CYCLOHEXANECARBONYL)AMINO)BUTANOICACID
(S)3methyl2(4((4oxobenzo(d)(123)triazin3(4H)yl)methyl)cyclohexanecarboxamido)butanoicacid
1217459169
CC((C@@H)(C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C
CC(C)C(C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=N2
InChI=1SC20H26N4O4c112(2)17(20(27)28)2118(25)149713(81014)112419(26)15534616(15)222324h36121417H711H212H3(H2125)(H2728)t13?14?17m0s1
MFCD06592010
N((4((4oxo123benzotriazin3(4H)yl)methyl)cyclohexyl)carbonyl)Lvaline
ZINC000005577793
ZINC5577793
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