Vitas-M small molecule compound

methyl 4,5-dimethoxy-2-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate

Catalog ID
STK717191
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C)OC

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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 C20H20N4O6 MW 412.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O6/c1-11(24-19(26)12-7-5-6-8-14(12)22-23-24)18(25)21-15-10-17(29-3)16(28-2)9-13(15)20(27)30-4/h5-11H,1-4H3,(H,21,25)/t11-/m0/s1
InChIKey
OZWXGIFTHRFEHN-NSHDSACASA-N
Synonyms
1173686-43-5
(S)methyl45dimethoxy2(2(4oxobenzo(d)(123)triazin3(4H)yl)propanamido)benzoate
1173686435
CC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)N2C(=O)C3=CC=CC=C3N=N2
COC(=O)c1cc(OC)c(cc1NC(=O)(C@@H)(n1nnc2c(c1=O)cccc2)C)OC
InChI=1SC20H20N4O6c111(2419(26)12756814(12)222324)18(25)21151017(293)16(282)913(15)20(27)304h511H14H3(H2125)t11m0s1
methyl45dimethoxy2(((2S)2(4oxo123benzotriazin3(4H)yl)propanoyl)amino)benzoate
METHYL45DIMETHOXY2(((2S)2(4OXO123BENZOTRIAZIN3YL)PROPANOYL)AMINO)BENZOATE
MFCD06782187
ZINC000005323442
ZINC05323442
ZINC5323442

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.