Vitas-M small molecule compound
N-(4-chlorophenyl)-2-[5-(4-nitrophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STK305744
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])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 C18H13ClN6O5 MW 428.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN6O5/c19-10-1-3-11(4-2-10)20-14(26)9-23-16-15(21-22-23)17(27)24(18(16)28)12-5-7-13(8-6-12)25(29)30/h1-8,15-16H,9H2,(H,20,26)InChIKey
JWEJLPNFYTZLCF-UHFFFAOYSA-NSynonyms
1024304-11-71024304117
C1=CC(=CC=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))N=N2)Cl
InChI=1SC18H13ClN6O5c19101311(4210)2014(26)9231615(212223)17(27)24(18(16)28)125713(8612)25(29)30h181516H9H2(H2026)
MFCD04045547
N(4CHLOROPHENYL)2(5(4NITROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)ACETAMIDE
N(4chlorophenyl)2(5(4nitrophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))Nc1ccc(cc1)Cl
ZINC000012779115
ZINC000100961499
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