Vitas-M small molecule compound
6-[5-(3-nitrophenyl)furan-2-yl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK791979
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1cccc(c1)[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 C23H19N5O4S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O4S/c1-2-12-33-23-25-22-20(26-27-23)16-8-3-4-9-17(16)24-21(32-22)19-11-10-18(31-19)14-6-5-7-15(13-14)28(29)30/h3-11,13,21,24H,2,12H2,1H3InChIKey
IEDPQDFKWVHHOL-UHFFFAOYSA-NSynonyms
6(5(3nitrophenyl)furan2yl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(3NITROPHENYL)FURAN2YL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O))N=N1
CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H19N5O4Sc12123323252220(262723)16834917(16)2421(3222)19111018(3119)1465715(1314)28(29)30h311132124H212H21H3
MFCD01008247
ZINC000002913233
ZINC000002913235
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