Vitas-M small molecule compound

1-[6-(5-bromothiophen-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK520989
SMILES CSc1nnc2c(n1)OC(c1ccc(s1)Br)N(c1c2cccc1)C(=O)CC

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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 C18H15BrN4O2S2 MW 463.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN4O2S2/c1-3-14(24)23-11-7-5-4-6-10(11)15-16(20-18(26-2)22-21-15)25-17(23)12-8-9-13(19)27-12/h4-9,17H,3H2,1-2H3
InChIKey
IMJPNKPWNPNBGD-UHFFFAOYSA-N
Synonyms

1(6(5bromothiophen2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(5BROMOTHIOPHEN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(5BROMO2THIENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(S4)Br
InChI=1SC18H15BrN4O2S2c1314(24)2311754610(11)1516(2018(262)222115)2517(23)128913(19)2712h4917H3H212H3
MFCD02376755
ZINC000000684492
ZINC000000684493

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Available files

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