Vitas-M small molecule compound
2-[7-acetyl-10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlorophenyl acetate
Catalog ID
STK980242
SMILES CCSc1nnc2c(n1)OC(N(c1c2cc(Br)cc1)C(=O)C)c1cc(Cl)ccc1OC(=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 C22H18BrClN4O4S MW 549.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN4O4S/c1-4-33-22-25-20-19(26-27-22)15-9-13(23)5-7-17(15)28(11(2)29)21(32-20)16-10-14(24)6-8-18(16)31-12(3)30/h5-10,21H,4H2,1-3H3InChIKey
GBRIGBYTRLZYPM-UHFFFAOYSA-NSynonyms
(2(7ACETYL10BROMO3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4CHLOROPHENYL)ACETATE
2(7acetyl10bromo3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4chlorophenylacetate
CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N(C(O2)C4=C(C=CC(=C4)Cl)OC(=O)C)C(=O)C)N=N1
InChI=1SC22H18BrClN4O4Sc143322252019(262722)15913(23)5717(15)28(11(2)29)21(3220)161014(24)6818(16)3112(3)30h51021H4H213H3
MFCD03838534
ZINC000000684870
ZINC000000684871
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