Vitas-M small molecule compound
1-[10-bromo-6-(5-bromofuran-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509302
SMILES CSc1nnc2c(n1)OC(c1ccc(o1)Br)N(c1c2cc(Br)cc1)C(=O)C
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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 C17H12Br2N4O3S MW 512.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12Br2N4O3S/c1-8(24)23-11-4-3-9(18)7-10(11)14-15(20-17(27-2)22-21-14)26-16(23)12-5-6-13(19)25-12/h3-7,16H,1-2H3InChIKey
XFAXFSMWBAWVAO-UHFFFAOYSA-NSynonyms
1(10bromo6(5bromofuran2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10BROMO6(5BROMOFURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL10BROMO6(5BROMO2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Br)N=NC(=N2)SC)C4=CC=C(O4)Br
InChI=1SC17H12Br2N4O3Sc18(24)2311439(18)710(11)1415(2017(272)222114)2616(23)125613(19)2512h3716H12H3
MFCD03080553
ZINC000000684767
ZINC000000684768
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