Vitas-M small molecule compound
2-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenyl acetate
Catalog ID
STK980022
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cccc(c1OC(=O)C)OC
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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 C25H26N4O5S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O5S/c1-5-6-14-35-25-26-23-21(27-28-25)17-10-7-8-12-19(17)29(15(2)30)24(34-23)18-11-9-13-20(32-4)22(18)33-16(3)31/h7-13,24H,5-6,14H2,1-4H3InChIKey
RDDIJNKIGULSAE-UHFFFAOYSA-NSynonyms
(2(7ACETYL3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6METHOXYPHENYL)ACETATE
2(7acetyl3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6methoxyphenylacetate
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C(=CC=C4)OC)OC(=O)C)C(=O)C)N=N1
InChI=1SC25H26N4O5Sc156143525262321(272825)1710781219(17)29(15(2)30)24(3423)181191320(324)22(18)3316(3)31h71324H5614H214H3
MFCD02182553
ZINC000002094421
ZINC000002094422
ZINC02094421
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