Vitas-M small molecule compound
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-fluorophenyl)acetamide
Catalog ID
STL081384
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)F)Nc1ccc(cc1)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 C18H12ClF2N5O3 MW 419.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF2N5O3/c19-12-7-11(5-6-13(12)21)26-17(28)15-16(18(26)29)25(24-23-15)8-14(27)22-10-3-1-9(20)2-4-10/h1-7,15-16H,8H2,(H,22,27)InChIKey
FWVUBNLVHLPBFS-UHFFFAOYSA-NSynonyms
1052565-66-81052565668
2(5(3chloro4fluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4fluorophenyl)acetamide
2(5(3chloro4fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(4fluorophenyl)acetamide
C1=CC(=CC=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)N=N2)F
InChI=1SC18H12ClF2N5O3c1912711(5613(12)21)2617(28)1516(18(26)29)25(242315)814(27)2210319(20)2410h171516H8H2(H2227)
MFCD07656036
ZINC000009675373
ZINC000101169628
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