Vitas-M small molecule compound

4-bromo-2-ethoxy-6-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate

Catalog ID
STK521139
SMILES CCOc1cc(Br)cc(c1OC(=O)CC)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2

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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 C25H25BrN4O5S MW 573.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O5S/c1-5-19(31)30-17-11-9-8-10-15(17)21-23(27-25(36-4)29-28-21)35-24(30)16-12-14(26)13-18(33-7-3)22(16)34-20(32)6-2/h8-13,24H,5-7H2,1-4H3
InChIKey
QMKBAIQTXAJKCY-UHFFFAOYSA-N
Synonyms

(4BROMO2ETHOXY6(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
4bromo2ethoxy6(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
4BROMO2ETHOXY6(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)OCC)Br
InChI=1SC25H25BrN4O5Sc1519(31)301711981015(17)2123(2725(364)292821)3524(30)161214(26)1318(3373)22(16)3420(32)62h81324H57H214H3
MFCD02951999
ZINC000000684356
ZINC000000684357

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Available files

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