Vitas-M small molecule compound
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-bromo-6-ethoxyphenyl acetate
Catalog ID
STK980021
SMILES CCCCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)OCC)OC(=O)C)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 C26H27BrN4O5S MW 587.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN4O5S/c1-5-7-12-37-26-28-24-22(29-30-26)18-10-8-9-11-20(18)31(15(3)32)25(36-24)17-13-19(27)23(35-16(4)33)21(14-17)34-6-2/h8-11,13-14,25H,5-7,12H2,1-4H3InChIKey
HZTIHMWFLBLPDE-UHFFFAOYSA-NSynonyms
(4(7ACETYL3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2BROMO6ETHOXYPHENYL)ACETATE
4(7acetyl3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2bromo6ethoxyphenylacetate
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)Br)OC(=O)C)OCC)C(=O)C)N=N1
InChI=1SC26H27BrN4O5Sc157123726282422(293026)1810891120(18)31(15(3)32)25(3624)171319(27)23(3516(4)33)21(1417)3462h811131425H5712H214H3
MFCD02182552
ZINC000002094410
ZINC000002094412
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