Vitas-M small molecule compound
3-(methylsulfanyl)-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL445107
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)[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 C15H11N5O4S MW 357.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N5O4S/c1-25-15-17-14-12(18-19-15)8-4-2-3-5-9(8)16-13(24-14)10-6-7-11(23-10)20(21)22/h2-7,13,16H,1H3InChIKey
NTXFPOMVERXHTG-UHFFFAOYSA-NSynonyms
3(methylsulfanyl)6(5nitrofuran2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3(METHYLTHIO)6(5NITRO2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
3METHYLSULFANYL6(5NITROFURAN2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)(N+)(=O)(O))N=N1
CSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)(N+)(=O)(O)
InChI=1SC15H11N5O4Sc12515171412(181915)842359(8)1613(2414)106711(2310)20(21)22h271316H1H3
MFCD00659754
ZINC000000822504
ZINC000000822505
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