Vitas-M small molecule compound
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-chloro-2-methoxyphenyl acetate
Catalog ID
STK980055
SMILES CCCCSc1nnc2c(n1)OC(c1cc(OC)c(cc1Cl)OC(=O)C)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 C25H25ClN4O5S MW 529.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O5S/c1-5-6-11-36-25-27-23-22(28-29-25)16-9-7-8-10-19(16)30(14(2)31)24(35-23)17-12-20(33-4)21(13-18(17)26)34-15(3)32/h7-10,12-13,24H,5-6,11H2,1-4H3InChIKey
CKLGKJICVSHOMZ-UHFFFAOYSA-NSynonyms
(4(7acetyl3butylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)5chloro2methoxyphenyl)acetate
4(7acetyl3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)5chloro2methoxyphenylacetate
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4Cl)OC(=O)C)OC)C(=O)C)N=N1
InChI=1SC25H25ClN4O5Sc156113625272322(282925)169781019(16)30(14(2)31)24(3523)171220(334)21(1318(17)26)3415(3)32h710121324H5611H214H3
MFCD02376807
ZINC000059513901
ZINC000059513904
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