Vitas-M small molecule compound
4,5-dimethoxy-2-nitro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Catalog ID
STK175762
SMILES COc1cc(C(=O)Nc2nnc(s2)CCc2ccccc2)c(cc1OC)[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 C19H18N4O5S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O5S/c1-27-15-10-13(14(23(25)26)11-16(15)28-2)18(24)20-19-22-21-17(29-19)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,22,24)InChIKey
DONAJFIRILPGQJ-UHFFFAOYSA-NSynonyms
768290-83-1(45DIMETHOXY2NITROPHENYL)N(5(2PHENYLETHYL)(134THIADIAZOL2YL))CARBOXAMIDE
45DIMETHOXY2NITRON(5(2PHENYLETHYL)134THIADIAZOL2YL)BENZAMIDE
45DIMETHOXY2NITRON(5PHENETHYL134THIADIAZOL2YL)BENZAMIDE
768290831
COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)(N+)(=O)(O))OC
COc1cc(C(=O)Nc2nnc(s2)CCc2ccccc2)c(cc1OC)(N+)(=O)(O)
InChI=1SC19H18N4O5Sc127151013(14(23(25)26)1116(15)282)18(24)2019222117(2919)98126435712h371011H89H212H3(H202224)
MFCD05661074
ZINC000001113789
ZINC01113789
ZINC1113789
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