Vitas-M small molecule compound
1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509127
SMILES CSc1nnc2c(n1)OC(c1cc3OCOc3cc1Br)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 C20H15BrN4O4S MW 487.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN4O4S/c1-10(26)25-14-6-4-3-5-11(14)17-18(22-20(30-2)24-23-17)29-19(25)12-7-15-16(8-13(12)21)28-9-27-15/h3-8,19H,9H2,1-2H3InChIKey
FDZSMADTOHEHOR-UHFFFAOYSA-NSynonyms
1(6(6bromo13benzodioxol5yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(6BROMO13BENZODIOXOL5YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(6BROMO13BENZODIOXOL5YL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4Br)OCO5
InChI=1SC20H15BrN4O4Sc110(26)2514643511(14)1718(2220(302)242317)2919(25)1271516(813(12)21)2892715h3819H9H212H3
MFCD01929867
ZINC000000683372
ZINC000000683373
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