Vitas-M small molecule compound
N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-alanine
Catalog ID
STK592223
SMILES OC(=O)[C@@H](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 C18H22N4O4 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4/c1-11(18(25)26)19-16(23)13-8-6-12(7-9-13)10-22-17(24)14-4-2-3-5-15(14)20-21-22/h2-5,11-13H,6-10H2,1H3,(H,19,23)(H,25,26)/t11-,12?,13?/m0/s1InChIKey
HJXUFNRLYWVCKB-HIFPTAJRSA-NSynonyms
1217460-95-1(2S)2((4((4OXO123BENZOTRIAZIN3YL)METHYL)CYCLOHEXANECARBONYL)AMINO)PROPANOICACID
(S)2(4((4oxobenzo(d)(123)triazin3(4H)yl)methyl)cyclohexanecarboxamido)propanoicacid
1217460951
CC(C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=N2
InChI=1SC18H22N4O4c111(18(25)26)1916(23)138612(7913)102217(24)14423515(14)202122h251113H610H21H3(H1923)(H2526)t1112?13?m0s1
MFCD06601573
N((4((4oxo123benzotriazin3(4H)yl)methyl)cyclohexyl)carbonyl)Lalanine
OC(=O)(C@@H)(NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C
ZINC000002229092
ZINC2229092
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