Vitas-M small molecule compound

1-[6-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521226
SMILES CCOc1cc(c(cc1OC)Br)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 C23H23BrN4O4S MW 531.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN4O4S/c1-5-19(29)28-16-10-8-7-9-13(16)20-21(25-23(33-4)27-26-20)32-22(28)14-11-18(31-6-2)17(30-3)12-15(14)24/h7-12,22H,5-6H2,1-4H3
InChIKey
MYKMBUPDTWPYOH-UHFFFAOYSA-N
Synonyms

1(6(2bromo5ethoxy4methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2BROMO5ETHOXY4METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(2BROMO5ETHOXY4METHOXYPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4Br)OC)OCC
InChI=1SC23H23BrN4O4Sc1519(29)28161087913(16)2021(2523(334)272620)3222(28)141118(3162)17(303)1215(14)24h71222H56H214H3
MFCD03080372
ZINC000000684454
ZINC000001007228

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Available files

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