Vitas-M small molecule compound
2-[7-acetyl-10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenyl acetate
Catalog ID
STK509396
SMILES COc1cc(Cl)cc(c1OC(=O)C)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)ccc(c2)Br
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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 C22H18BrClN4O5S MW 565.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN4O5S/c1-10(29)28-16-6-5-12(23)7-14(16)18-20(25-22(34-4)27-26-18)33-21(28)15-8-13(24)9-17(31-3)19(15)32-11(2)30/h5-9,21H,1-4H3InChIKey
RQCWCZDLLCHCFL-UHFFFAOYSA-NSynonyms
(2(7ACETYL10BROMO3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4CHLORO6METHOXYPHENYL)ACETATE
2(7acetyl10bromo3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4chloro6methoxyphenylacetate
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Br)N=NC(=N2)SC)C4=CC(=CC(=C4OC(=O)C)OC)Cl
InChI=1SC22H18BrClN4O5Sc110(29)28166512(23)714(16)1820(2522(344)272618)3321(28)15813(24)917(313)19(15)3211(2)30h5921H14H3
MFCD03271308
ZINC000000684776
ZINC000008397684
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