Vitas-M small molecule compound
1-[6-(2,5-dimethylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509403
SMILES CSc1nnc2c(n1)OC(c1cc(C)ccc1C)N(c1c2cccc1)C(=O)C
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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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-12-9-10-13(2)16(11-12)20-25(14(3)26)17-8-6-5-7-15(17)18-19(27-20)22-21(28-4)24-23-18/h5-11,20H,1-4H3InChIKey
SBQBLISSJDEZGO-UHFFFAOYSA-NSynonyms
1(6(25dimethylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(25DIMETHYLPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC1=CC(=C(C=C1)C)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C
InChI=1SC21H20N4O2Sc11291013(2)16(1112)2025(14(3)26)17865715(17)1819(2720)2221(284)242318h51120H14H3
MFCD02376441
ZINC000001168917
ZINC000001168918
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