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]benzene-1,3-diyl diacetate
Catalog ID
STK980012
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(cc1OC(=O)C)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 C26H26N4O6S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O6S/c1-5-6-13-37-26-27-24-23(28-29-26)19-9-7-8-10-21(19)30(15(2)31)25(36-24)20-12-11-18(34-16(3)32)14-22(20)35-17(4)33/h7-12,14,25H,5-6,13H2,1-4H3InChIKey
YKPTZAUYFKVQKA-UHFFFAOYSA-NSynonyms
(4(7ACETYL3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)3ACETYLOXYPHENYL)ACETATE
2(7ACETYL3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)5(ACETYLOXY)PHENYLACETATE
4(7acetyl3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzene13diyldiacetate
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=C(C=C4)OC(=O)C)OC(=O)C)C(=O)C)N=N1
InChI=1SC26H26N4O6Sc156133726272423(282926)199781021(19)30(15(2)31)25(3624)20121118(3416(3)32)1422(20)3517(4)33h7121425H5613H214H3
MFCD02326622
ZINC000002087286
ZINC000002094177
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