Vitas-M small molecule compound
2-bromo-4-chloro-6-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Catalog ID
STK521159
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cc(Cl)cc(c1OC(=O)CC)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 C23H20BrClN4O4S MW 563.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrClN4O4S/c1-4-17(30)29-16-9-7-6-8-13(16)19-21(26-23(34-3)28-27-19)33-22(29)14-10-12(25)11-15(24)20(14)32-18(31)5-2/h6-11,22H,4-5H2,1-3H3InChIKey
OQDLPFISKCSGAD-UHFFFAOYSA-NSynonyms
(2BROMO4CHLORO6(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
2bromo4chloro6(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
2BROMO4CHLORO6(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OC(=O)CC)Br)Cl
InChI=1SC23H20BrClN4O4Sc1417(30)2916976813(16)1921(2623(343)282719)3322(29)141012(25)1115(24)20(14)3218(31)52h61122H45H213H3
MFCD02951978
ZINC000000684323
ZINC000001007155
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