Vitas-M small molecule compound
1-{6-[5-(4-bromophenyl)furan-2-yl]-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK521101
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1)Br)N(c1c2cccc1)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 C25H19BrN4O3S MW 535.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN4O3S/c1-3-14-34-25-27-23-22(28-29-25)18-6-4-5-7-19(18)30(15(2)31)24(33-23)21-13-12-20(32-21)16-8-10-17(26)11-9-16/h3-13,24H,1,14H2,2H3InChIKey
YXZDHKTZUXCONL-UHFFFAOYSA-NSynonyms
1(6(5(4bromophenyl)furan2yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5(4BROMOPHENYL)FURAN2YL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ALLYLSULFANYL)6(5(4BROMOPHENYL)2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=C(O4)C5=CC=C(C=C5)Br
InChI=1SC25H19BrN4O3Sc13143425272322(282925)18645719(18)30(15(2)31)24(3323)21131220(3221)1681017(26)11916h31324H114H22H3
MFCD02952109
ZINC000002113649
ZINC000002113652
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