Vitas-M small molecule compound
1-[6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980279
SMILES C=CCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)OC)OCC)N(c1c2cccc1)C(=O)CC
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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 C25H25BrN4O4S MW 557.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O4S/c1-5-12-35-25-27-23-21(28-29-25)16-10-8-9-11-18(16)30(20(31)6-2)24(34-23)15-13-17(26)22(33-7-3)19(14-15)32-4/h5,8-11,13-14,24H,1,6-7,12H2,2-4H3InChIKey
WOZCVMSXJSCZGZ-UHFFFAOYSA-NSynonyms
1(6(3bromo4ethoxy5methoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3BROMO4ETHOXY5METHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(ALLYLSULFANYL)6(3BROMO4ETHOXY5METHOXYPHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C(=C4)Br)OCC)OC
InChI=1SC25H25BrN4O4Sc15123525272321(282925)1610891118(16)30(20(31)62)24(3423)151317(26)22(3373)19(1415)324h5811131424H16712H224H3
MFCD03784990
ZINC000002114391
ZINC000002114392
Check stock
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