Vitas-M small molecule compound
2-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-chlorophenyl acetate
Catalog ID
STK509213
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Cl)cc(c1OC(=O)C)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 C26H26BrClN4O4S MW 605.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrClN4O4S/c1-4-5-6-9-12-37-26-29-24-22(30-31-26)18-10-7-8-11-21(18)32(15(2)33)25(36-24)19-13-17(28)14-20(27)23(19)35-16(3)34/h7-8,10-11,13-14,25H,4-6,9,12H2,1-3H3InChIKey
BPRNGRGKIWMUAC-UHFFFAOYSA-NSynonyms
(2(7ACETYL3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6BROMO4CHLOROPHENYL)ACETATE
2(7acetyl3(hexylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6bromo4chlorophenylacetate
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC(=O)C)Br)Cl)C(=O)C)N=N1
InChI=1SC26H26BrClN4O4Sc14569123726292422(303126)1810781121(18)32(15(2)33)25(3624)191317(28)1420(27)23(19)3516(3)34h781011131425H46912H213H3
MFCD02951970
ZINC000008453065
ZINC000008453066
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