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-methoxyphenyl)acetamide
Catalog ID
STL081382
SMILES COc1ccc(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 C19H15ClFN5O4 MW 431.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClFN5O4/c1-30-12-5-2-10(3-6-12)22-15(27)9-25-17-16(23-24-25)18(28)26(19(17)29)11-4-7-14(21)13(20)8-11/h2-8,16-17H,9H2,1H3,(H,22,27)InChIKey
KKZLDFGOINJPSF-UHFFFAOYSA-NSynonyms
1052565-44-21052565442
2(5(3chloro4fluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4methoxyphenyl)acetamide
2(5(3chloro4fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(4methoxyphenyl)acetamide
COC1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)N=N2
InChI=1SC19H15ClFN5O4c130125210(3612)2215(27)9251716(232425)18(28)26(19(17)29)114714(21)13(20)811h281617H9H21H3(H2227)
MFCD07656034
ZINC000009675351
ZINC000101169615
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