Vitas-M small molecule compound

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

Catalog ID
STK521211
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1cc(Br)ccc1OC

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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 C22H21BrN4O3S MW 501.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O3S/c1-4-18(28)27-16-9-7-6-8-14(16)19-20(24-22(26-25-19)31-5-2)30-21(27)15-12-13(23)10-11-17(15)29-3/h6-12,21H,4-5H2,1-3H3
InChIKey
MAZHGUAAEJIGCC-UHFFFAOYSA-N
Synonyms

1(6(5bromo2methoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(5BROMO2METHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
4BROMO2(3(ETHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=C(C=CC(=C4)Br)OC
InChI=1SC22H21BrN4O3Sc1418(28)2716976814(16)1920(2422(262519)3152)3021(27)151213(23)101117(15)293h61221H45H213H3
MFCD03080395
ZINC000000684541
ZINC000000684542

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Available files

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