Vitas-M small molecule compound

4-[7-butanoyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenyl butanoate

Catalog ID
STK980105
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(c(c1)OCC)OC(=O)CCC

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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 C27H30N4O5S MW 522.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5S/c1-5-10-22(32)31-19-13-9-8-12-18(19)24-25(28-27(37-4)30-29-24)36-26(31)17-14-15-20(21(16-17)34-7-3)35-23(33)11-6-2/h8-9,12-16,26H,5-7,10-11H2,1-4H3
InChIKey
ZXUBHPAITASVPT-UHFFFAOYSA-N
Synonyms

(4(7BUTANOYL3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2ETHOXYPHENYL)BUTANOATE
4(7butanoyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2ethoxyphenylbutanoate
4(7BUTYRYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2ETHOXYPHENYLBUTYRATE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4)OC(=O)CCC)OCC
InChI=1SC27H30N4O5Sc151022(32)311913981218(19)2425(2827(374)302924)3626(31)17141520(21(1617)3473)3523(33)1162h89121626H571011H214H3
MFCD02952147
ZINC000000684702
ZINC000000684703

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Available files

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