Vitas-M small molecule compound
1-[6-(4-ethoxy-3-methoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521093
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(c(c1)OC)OCC)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 C24H24N4O4S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S/c1-5-13-33-24-25-22-21(26-27-24)17-9-7-8-10-18(17)28(15(3)29)23(32-22)16-11-12-19(31-6-2)20(14-16)30-4/h5,7-12,14,23H,1,6,13H2,2-4H3InChIKey
TXDHEZSMGNAMFC-UHFFFAOYSA-NSynonyms
1(6(4ethoxy3methoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4ETHOXY3METHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ALLYLSULFANYL)6(4ETHOXY3METHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C)OC
InChI=1SC24H24N4O4Sc15133324252221(262724)179781018(17)28(15(3)29)23(3222)16111219(3162)20(1416)304h57121423H1613H224H3
MFCD02952154
ZINC000002113921
ZINC000002113923
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