Vitas-M small molecule compound
ethyl 3-(phenylcarbonyl)-4-thioxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
Catalog ID
STL447732
SMILES CCOC(=O)c1ncn2c1nnn(c2=S)C(=O)c1ccccc1
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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 C14H11N5O3S MW 329.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N5O3S/c1-2-22-13(21)10-11-16-17-19(14(23)18(11)8-15-10)12(20)9-6-4-3-5-7-9/h3-8H,2H2,1H3InChIKey
HAZDWJLOTKRHEZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C2N=NN(C(=S)N2C=N1)C(=O)C3=CC=CC=C3
ethyl3(phenylcarbonyl)4thioxo34dihydroimidazo(51d)(1235)tetrazine8carboxylate
ethyl3benzoyl4sulfanylideneimidazo(51d)(1235)tetrazine8carboxylate
InChI=1SC14H11N5O3Sc122213(21)1011161719(14(23)18(11)81510)12(20)9643579h38H2H21H3
MFCD06240419
ZINC000001414593
ZINC1414593
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