Vitas-M small molecule compound
1-[10-bromo-3-(methylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK509468
SMILES CCC(=O)N1c2ccc(cc2c2c(OC1c1ccsc1)nc(nn2)SC)Br
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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)23-13-5-4-11(19)8-12(13)15-16(20-18(26-2)22-21-15)25-17(23)10-6-7-27-9-10/h4-9,17H,3H2,1-2H3InChIKey
NTGGFYHYQNSRQJ-UHFFFAOYSA-NSynonyms
1(10bromo3(methylsulfanyl)6(thiophen3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(10BROMO3METHYLSULFANYL6THIOPHEN3YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
10BROMO7PROPIONYL6(3THIENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CCC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Br)N=NC(=N2)SC)C4=CSC=C4
InChI=1SC18H15BrN4O2S2c1314(24)23135411(19)812(13)1516(2018(262)222115)2517(23)106727910h4917H3H212H3
MFCD03864527
ZINC000000684878
ZINC000000684879
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