Vitas-M small molecule compound
1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520923
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Cl)cc(c1OC)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 C22H21ClN4O4S MW 472.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O4S/c1-5-32-22-24-20-18(25-26-22)14-8-6-7-9-16(14)27(12(2)28)21(31-20)15-10-13(23)11-17(29-3)19(15)30-4/h6-11,21H,5H2,1-4H3InChIKey
CEMZNUVJTTUMKS-UHFFFAOYSA-NSynonyms
1(6(5chloro23dimethoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5CHLORO23DIMETHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5CHLORO23DIMETHOXYPHENYL)3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC)OC)Cl)C(=O)C)N=N1
InChI=1SC22H21ClN4O4Sc153222242018(252622)14867916(14)27(12(2)28)21(3120)151013(23)1117(293)19(15)304h61121H5H214H3
MFCD02071165
ZINC000000683713
ZINC000000683714
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