Vitas-M small molecule compound
2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL081413
SMILES COc1cc(ccc1OC)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1cccc(c1)C(F)(F)F
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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 C21H18F3N5O5 MW 477.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N5O5/c1-33-14-7-6-13(9-15(14)34-2)29-19(31)17-18(20(29)32)28(27-26-17)10-16(30)25-12-5-3-4-11(8-12)21(22,23)24/h3-9,17-18H,10H2,1-2H3,(H,25,30)InChIKey
VGIKSWBCMOKSBF-UHFFFAOYSA-NSynonyms
1052614-10-41052614104
2(5(34dimethoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(3(trifluoromethyl)phenyl)acetamide
2(5(34dimethoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(3(trifluoromethyl)phenyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=CC(=C4)C(F)(F)F)OC
InChI=1SC21H18F3N5O5c133147613(915(14)342)2919(31)1718(20(29)32)28(272617)1016(30)251253411(812)21(2223)24h391718H10H212H3(H2530)
MFCD07656078
ZINC000095481452
ZINC000101169967
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