Vitas-M small molecule compound
ethyl 8-(piperidin-1-ylcarbonyl)-4-thioxoimidazo[5,1-d][1,2,3,5]tetrazine-3(4H)-carboxylate
Catalog ID
STL447763
SMILES CCOC(=O)n1nnc2n(c1=S)cnc2C(=O)N1CCCCC1
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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 C13H16N6O3S MW 336.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N6O3S/c1-2-22-13(21)19-12(23)18-8-14-9(10(18)15-16-19)11(20)17-6-4-3-5-7-17/h8H,2-7H2,1H3InChIKey
LCCFFCRKSWNVCO-UHFFFAOYSA-NSynonyms
CCOC(=O)N1C(=S)N2C=NC(=C2N=N1)C(=O)N3CCCCC3
ethyl8(piperidin1ylcarbonyl)4thioxoimidazo(51d)(1235)tetrazine3(4H)carboxylate
ethyl8(piperidine1carbonyl)4sulfanylideneimidazo(51d)(1235)tetrazine3carboxylate
InChI=1SC13H16N6O3Sc122213(21)1912(23)188149(10(18)151619)11(20)176435717h8H27H21H3
MFCD06244086
ZINC000001408506
ZINC1408506
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