Vitas-M small molecule compound

1-{6-[2-(benzyloxy)-5-bromophenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone

Catalog ID
STK520822
SMILES CCSc1nnc2c(n1)OC(c1cc(Br)ccc1OCc1ccccc1)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 C27H23BrN4O3S MW 563.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN4O3S/c1-3-36-27-29-25-24(30-31-27)20-11-7-8-12-22(20)32(17(2)33)26(35-25)21-15-19(28)13-14-23(21)34-16-18-9-5-4-6-10-18/h4-15,26H,3,16H2,1-2H3
InChIKey
LUZZZYNSPAMBLF-UHFFFAOYSA-N
Synonyms

1(6(2(benzyloxy)5bromophenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5BROMO2PHENYLMETHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(2(BENZYLOXY)5BROMOPHENYL)3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)C(=O)C)N=N1
InChI=1SC27H23BrN4O3Sc133627292524(303127)2011781222(20)32(17(2)33)26(3525)211519(28)131423(21)34161895461018h41526H316H212H3
MFCD02168378
ZINC000002087046
ZINC000002087047

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Available files

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