Vitas-M small molecule compound

(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide

Catalog ID
STK580953
SMILES CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)OC(F)(F)F)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 C19H17F3N4O3 MW 406.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N4O3/c1-11(2)16(26-18(28)14-5-3-4-6-15(14)24-25-26)17(27)23-12-7-9-13(10-8-12)29-19(20,21)22/h3-11,16H,1-2H3,(H,23,27)/t16-/m0/s1
InChIKey
MDYFAHFYLVIQEB-INIZCTEOSA-N
Synonyms
1173677-61-6
(2S)3methyl2(4oxo123benzotriazin3(4H)yl)N(4(trifluoromethoxy)phenyl)butanamide
(2S)3methyl2(4oxo123benzotriazin3yl)N(4(trifluoromethoxy)phenyl)butanamide
(S)3methyl2(4oxobenzo(d)(123)triazin3(4H)yl)N(4(trifluoromethoxy)phenyl)butanamide
1173677616
CC((C@H)(n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)OC(F)(F)F)C
CC(C)C(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)N2C(=O)C3=CC=CC=C3N=N2
InChI=1SC19H17F3N4O3c111(2)16(2618(28)14534615(14)242526)17(27)23127913(10812)2919(2021)22h31116H12H3(H2327)t16m0s1
MFCD06775901
ZINC000005266690
ZINC05266690
ZINC5266690

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Available files

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