Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-phenyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980016
SMILES CCCCSc1nnc2c(n1)OC(c1ccccc1)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-3-4-14-29-22-23-20-19(24-25-22)17-12-8-9-13-18(17)26(15(2)27)21(28-20)16-10-6-5-7-11-16/h5-13,21H,3-4,14H2,1-2H3InChIKey
IOZGOVSRWFZUMW-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6phenyl(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6PHENYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6PHENYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLBUTYLSULFIDE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4)C(=O)C)N=N1
InChI=1SC22H22N4O2Sc134142922232019(242522)1712891318(17)26(15(2)27)21(2820)16106571116h51321H3414H212H3
MFCD02182515
ZINC000002087273
ZINC000002087274
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