Vitas-M small molecule compound
1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521243
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc2OCOc2cc1Br
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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 C22H17BrN4O4S MW 513.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O4S/c1-3-8-32-22-24-20-19(25-26-22)13-6-4-5-7-16(13)27(12(2)28)21(31-20)14-9-17-18(10-15(14)23)30-11-29-17/h3-7,9-10,21H,1,8,11H2,2H3InChIKey
ZGKAPAFRPNGPIB-UHFFFAOYSA-NSynonyms
1(6(6bromo13benzodioxol5yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(6bromo13benzodioxol5yl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
7ACETYL6(6BROMO13BENZODIOXOL5YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLALLYLSULFIDE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC5=C(C=C4Br)OCO5
InChI=1SC22H17BrN4O4Sc1383222242019(252622)13645716(13)27(12(2)28)21(3120)1491718(1015(14)23)30112917h3791021H1811H22H3
MFCD03080484
ZINC000008397126
ZINC000008397128
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