Vitas-M small molecule compound
methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
Catalog ID
STK175794
SMILES CCCCCc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-]
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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 C16H18N4O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5S/c1-3-4-5-6-13-18-19-16(26-13)17-14(21)10-7-11(15(22)25-2)9-12(8-10)20(23)24/h7-9H,3-6H2,1-2H3,(H,17,19,21)InChIKey
DTRWVIGTXIEUOV-UHFFFAOYSA-NSynonyms
768291-12-9768291129
CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
CCCCCc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC16H18N4O5Sc1345613181916(2613)1714(21)10711(15(22)252)912(810)20(23)24h79H36H212H3(H171921)
METHYL3NITRO5((5PENTYL134THIADIAZOL2YL)CARBAMOYL)BENZOATE
METHYL3NITRO5(N(5PENTYL(134THIADIAZOL2YL))CARBAMOYL)BENZOATE
MFCD04277973
ZINC000002855955
ZINC02855955
ZINC2855955
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