Vitas-M small molecule compound
2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-nitrophenyl)acetamide
Catalog ID
STL094771
SMILES O=C(Nc1ccccc1[N+](=O)[O-])CN1N=NC2C1C(=O)N(C2=O)c1ccc(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 C18H13ClN6O5 MW 428.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN6O5/c19-10-5-7-11(8-6-10)24-17(27)15-16(18(24)28)23(22-21-15)9-14(26)20-12-3-1-2-4-13(12)25(29)30/h1-8,15-16H,9H2,(H,20,26)InChIKey
ONZYGUCCCQWLRO-UHFFFAOYSA-NSynonyms
2(5(4chlorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(2nitrophenyl)acetamide
2(5(4chlorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(2nitrophenyl)acetamide
C1=CC=C(C(=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)N=N2)(N+)(=O)(O)
InChI=1SC18H13ClN6O5c19105711(8610)2417(27)1516(18(24)28)23(222115)914(26)2012312413(12)25(29)30h181516H9H2(H2026)
MFCD14749764
O=C(Nc1ccccc1(N+)(=O)(O))CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)Cl
ZINC000020182645
ZINC000101387399
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