Vitas-M small molecule compound
1-[6-(4-bromo-5-iodofuran-2-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521201
SMILES C=CCSc1nnc2c(n1)OC(c1cc(c(o1)I)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 C19H14BrIN4O3S MW 585.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrIN4O3S/c1-3-8-29-19-22-17-15(23-24-19)11-6-4-5-7-13(11)25(10(2)26)18(28-17)14-9-12(20)16(21)27-14/h3-7,9,18H,1,8H2,2H3InChIKey
SVZXZSOUITVNHK-UHFFFAOYSA-NSynonyms
1(6(4bromo5iodofuran2yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4bromo5iodofuran2yl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(O4)I)Br
InChI=1SC19H14BrIN4O3Sc1382919221715(232419)11645713(11)25(10(2)26)18(2817)14912(20)16(21)2714h37918H18H22H3
MFCD04230743
ZINC000101011542
ZINC000101011543
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