Vitas-M small molecule compound
N-(4-chlorophenyl)-2-[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STK304975
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)F)Nc1ccc(cc1)Cl
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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 C18H13ClFN5O3 MW 401.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClFN5O3/c19-10-4-6-12(7-5-10)21-14(26)9-24-16-15(22-23-24)17(27)25(18(16)28)13-3-1-2-11(20)8-13/h1-8,15-16H,9H2,(H,21,26)InChIKey
CMKVAKQBVKWPIB-UHFFFAOYSA-NSynonyms
1024232-38-91024232389
C1=CC(=CC(=C1)F)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)Cl
InChI=1SC18H13ClFN5O3c19104612(7510)2114(26)9241615(222324)17(27)25(18(16)28)1331211(20)813h181516H9H2(H2126)
MFCD04049538
N(4CHLOROPHENYL)2(5(3FLUOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)ACETAMIDE
N(4chlorophenyl)2(5(3fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000002782699
ZINC000101999614
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