Vitas-M small molecule compound

10-bromo-3-(methylsulfanyl)-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STK327014
SMILES CSc1nnc2c(n1)OC(/C=C/c1ccc(o1)[N+](=O)[O-])Nc1c2cc(Br)cc1

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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 C17H12BrN5O4S MW 462.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrN5O4S/c1-28-17-20-16-15(21-22-17)11-8-9(18)2-5-12(11)19-13(27-16)6-3-10-4-7-14(26-10)23(24)25/h2-8,13,19H,1H3/b6-3+
InChIKey
GVDAZGSIGKEEHC-ZZXKWVIFSA-N
Synonyms

10bromo3(methylsulfanyl)6((E)2(5nitrofuran2yl)ethenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
10BROMO3METHYLSULFANYL6((E)2(5NITROFURAN2YL)ETHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C=CC4=CC=C(O4)(N+)(=O)(O))N=N1
CSc1nnc2c(n1)OC(C=Cc1ccc(o1)(N+)(=O)(O))Nc1c2cc(Br)cc1
InChI=1SC17H12BrN5O4Sc12817201615(212217)1189(18)2512(11)1913(2716)63104714(2610)23(24)25h281319H1H3b63+
MFCD02376585
ZINC000001184894
ZINC000001184895

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Available files

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