Vitas-M small molecule compound
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-ethoxyphenol
Catalog ID
STL169900
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Cl)c(c(c1)OCC)O
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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 C22H23ClN4O3S MW 458.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O3S/c1-3-5-10-31-22-25-21-18(26-27-22)14-8-6-7-9-16(14)24-20(30-21)13-11-15(23)19(28)17(12-13)29-4-2/h6-9,11-12,20,24,28H,3-5,10H2,1-2H3InChIKey
LQAWPZUVVKNOLF-UHFFFAOYSA-NSynonyms
4(3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2chloro6ethoxyphenol
4(3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2CHLORO6ETHOXYPHENOL
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Cl)O)OCC)N=N1
InChI=1SC22H23ClN4O3Sc135103122252118(262722)14867916(14)2420(3021)131115(23)19(28)17(1213)2942h691112202428H3510H212H3
MFCD01920966
ZINC000002747181
ZINC000002747182
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