Vitas-M small molecule compound
1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520949
SMILES CCCSc1nnc2c(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 C22H19BrN4O4S MW 515.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O4S/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/h4-7,9-10,21H,3,8,11H2,1-2H3InChIKey
YWXUWPORVOUYIL-UHFFFAOYSA-NSynonyms
1(6(6bromo13benzodioxol5yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(6BROMO13BENZODIOXOL5YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(6BROMO13BENZODIOXOL5YL)3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4Br)OCO5)C(=O)C)N=N1
InChI=1SC22H19BrN4O4Sc1383222242019(252622)13645716(13)27(12(2)28)21(3120)1491718(1015(14)23)30112917h4791021H3811H212H3
MFCD02168416
ZINC000002087190
ZINC000002087192
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