Vitas-M small molecule compound
1-[6-(3-ethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509384
SMILES CCOc1cccc(c1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-4-27-15-9-7-8-14(12-15)20-25(13(2)26)17-11-6-5-10-16(17)18-19(28-20)22-21(29-3)24-23-18/h5-12,20H,4H2,1-3H3InChIKey
RCXHBJQXNNLCSZ-UHFFFAOYSA-NSynonyms
1(6(3ethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3ETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCOC1=CC=CC(=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C
InChI=1SC21H20N4O3Sc14271597814(1215)2025(13(2)26)1711651016(17)1819(2820)2221(293)242318h51220H4H213H3
MFCD02376392
ZINC000001184952
ZINC000001184953
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