Vitas-M small molecule compound
ethyl 8-(pyrrolidin-1-ylcarbonyl)-4-thioxoimidazo[5,1-d][1,2,3,5]tetrazine-3(4H)-carboxylate
Catalog ID
STL485372
SMILES CCOC(=O)n1nnc2n(c1=S)cnc2C(=O)N1CCCC1
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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 C12H14N6O3S MW 322.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N6O3S/c1-2-21-12(20)18-11(22)17-7-13-8(9(17)14-15-18)10(19)16-5-3-4-6-16/h7H,2-6H2,1H3InChIKey
OMWHNMFXOQNYSJ-UHFFFAOYSA-NSynonyms
CCOC(=O)N1C(=S)N2C=NC(=C2N=N1)C(=O)N3CCCC3
ethyl8(pyrrolidin1ylcarbonyl)4thioxoimidazo(51d)(1235)tetrazine3(4H)carboxylate
ethyl8(pyrrolidine1carbonyl)4sulfanylideneimidazo(51d)(1235)tetrazine3carboxylate
InChI=1SC12H14N6O3Sc122112(20)1811(22)177138(9(17)141518)10(19)16534616h7H26H21H3
MFCD06240745
ZINC000001414464
ZINC1414464
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