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-ethoxyphenyl)acetamide
Catalog ID
STL081392
SMILES CCOc1ccc(cc1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)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 C20H17ClFN5O4 MW 445.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClFN5O4/c1-2-31-13-6-3-11(4-7-13)23-16(28)10-26-18-17(24-25-26)19(29)27(20(18)30)12-5-8-15(22)14(21)9-12/h3-9,17-18H,2,10H2,1H3,(H,23,28)InChIKey
QULHZFYIYZOCNT-UHFFFAOYSA-NSynonyms
1052608-48-61052608486
2(5(3chloro4fluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4ethoxyphenyl)acetamide
2(5(3chloro4fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(4ethoxyphenyl)acetamide
CCOC1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)N=N2
InChI=1SC20H17ClFN5O4c1231136311(4713)2316(28)10261817(242526)19(29)27(20(18)30)125815(22)14(21)912h391718H210H21H3(H2328)
MFCD07656045
ZINC000009675480
ZINC000101169732
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