Vitas-M small molecule compound
N-[3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-(morpholin-4-yl)-5-nitrobenzamide
Catalog ID
STK243682
SMILES CCc1nnc2n1nc(s2)c1cccc(c1)NC(=O)c1cc(ccc1N1CCOCC1)[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 C22H21N7O4S MW 479.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N7O4S/c1-2-19-24-25-22-28(19)26-21(34-22)14-4-3-5-15(12-14)23-20(30)17-13-16(29(31)32)6-7-18(17)27-8-10-33-11-9-27/h3-7,12-13H,2,8-11H2,1H3,(H,23,30)InChIKey
NCPVNMVEUSWWGG-UHFFFAOYSA-NSynonyms
CCC1=NN=C2N1N=C(S2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)(N+)(=O)(O))N5CCOCC5
CCc1nnc2n1nc(s2)c1cccc(c1)NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O)
InChI=1SC22H21N7O4Sc121924252228(19)2621(3422)1443515(1214)2320(30)171316(29(31)32)6718(17)278103311927h371213H2811H21H3(H2330)
MFCD07176298
N(3(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)2(morpholin4yl)5nitrobenzamide
N(3(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)2morpholin4yl5nitrobenzamide
ZINC000009192643
ZINC09192643
ZINC9192643
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