Vitas-M small molecule compound

2-benzyl-5,6,7,8-tetrachloro-10,10-dimethoxy-5,8-dihydro-1H-5,8-methano[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione

Catalog ID
STL323204
SMILES COC1(OC)C2(Cl)C(=C(C1(Cl)n1n2c(=O)n(c1=O)Cc1ccccc1)Cl)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 C16H13Cl4N3O4 MW 453.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl4N3O4/c1-26-16(27-2)14(19)10(17)11(18)15(16,20)23-13(25)21(12(24)22(14)23)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
HDNFNGWXOSZHOP-UHFFFAOYSA-N
Synonyms
317841-89-7
(5S8S)2benzyl5678tetrachloro1010dimethoxy58dihydro1H58methano(124)triazolo(12a)pyridazine13(2H)dione
2benzyl5678tetrachloro1010dimethoxy58dihydro1H58methano(124)triazolo(12a)pyridazine13(2H)dione
317841897
COC1(C2(C(=C(C1(N3N2C(=O)N(C3=O)CC4=CC=CC=C4)Cl)Cl)Cl)Cl)OC
InChI=1SC16H13Cl4N3O4c12616(272)14(19)10(17)11(18)15(1620)2313(25)21(12(24)22(14)23)89643579h37H8H212H3
MFCD01088606
ZINC000100681968

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Available files

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