Vitas-M small molecule compound
ethyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydropyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
Catalog ID
STL440629
SMILES CCOC(=O)c1cnn2c1nnn(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 C13H10ClN5O3 MW 319.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10ClN5O3/c1-2-22-12(20)10-7-15-19-11(10)16-17-18(13(19)21)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3InChIKey
IXOKPAVPYISPDT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C2N=NN(C(=O)N2N=C1)C3=CC=C(C=C3)Cl
ethyl3(4chlorophenyl)4oxo34dihydropyrazolo(51d)(1235)tetrazine8carboxylate
ethyl3(4chlorophenyl)4oxopyrazolo(51d)(1235)tetrazine8carboxylate
InChI=1SC13H10ClN5O3c122212(20)107151911(10)161718(13(19)21)9538(14)469h37H2H21H3
MFCD08273236
ZINC000008757630
ZINC8757630
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