Vitas-M small molecule compound
1-[6-(2-bromo-5-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521223
SMILES COc1ccc(c(c1)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2)Br
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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 C21H19BrN4O3S MW 487.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3S/c1-4-17(27)26-16-8-6-5-7-13(16)18-19(23-21(30-3)25-24-18)29-20(26)14-11-12(28-2)9-10-15(14)22/h5-11,20H,4H2,1-3H3InChIKey
LDAMIDLONCVWEY-UHFFFAOYSA-NSynonyms
1(6(2bromo5methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2BROMO5METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
4BROMO3(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)OC)Br
InChI=1SC21H19BrN4O3Sc1417(27)2616865713(16)1819(2321(303)252418)2920(26)141112(282)91015(14)22h51120H4H213H3
MFCD03080383
ZINC000000684508
ZINC000000684509
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