Vitas-M small molecule compound

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

Catalog ID
STK593865
SMILES CSCC[C@@H](C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

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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 C20H26N4O4S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4S/c1-29-11-10-17(20(27)28)21-18(25)14-8-6-13(7-9-14)12-24-19(26)15-4-2-3-5-16(15)22-23-24/h2-5,13-14,17H,6-12H2,1H3,(H,21,25)(H,27,28)/t13?,14?,17-/m0/s1
InChIKey
UAFUWDSFAHRWKC-KVULBXGLSA-N
Synonyms
1217460-11-1
(2S)4METHYLSULFANYL2((4((4OXO123BENZOTRIAZIN3YL)METHYL)CYCLOHEXANECARBONYL)AMINO)BUTANOICACID
(S)4(methylthio)2(4((4oxobenzo(d)(123)triazin3(4H)yl)methyl)cyclohexanecarboxamido)butanoicacid
1217460111
CSCC(C@@H)(C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2
CSCCC(C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=N2
InChI=1SC20H26N4O4Sc129111017(20(27)28)2118(25)148613(7914)122419(26)15423516(15)222324h25131417H612H21H3(H2125)(H2728)t13?14?17m0s1
MFCD06610287
N((4((4oxo123benzotriazin3(4H)yl)methyl)cyclohexyl)carbonyl)Lmethionine
ZINC000005443050
ZINC5443050

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Available files

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