Vitas-M small molecule compound
1-[6-(3-methylthiophen-2-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521670
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1sccc1C
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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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-4-11-29-21-22-19-17(23-24-21)14-8-6-7-9-15(14)25(16(26)5-2)20(27-19)18-13(3)10-12-28-18/h6-10,12,20H,4-5,11H2,1-3H3InChIKey
WMVAYZJDNSBICX-UHFFFAOYSA-NSynonyms
1(6(3methylthiophen2yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3METHYLTHIOPHEN2YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(3METHYL2THIENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLPROPYLSULFIDE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CS4)C)C(=O)CC)N=N1
InChI=1SC21H22N4O2S2c14112921221917(232421)14867915(14)25(16(26)52)20(2719)1813(3)10122818h6101220H4511H213H3
MFCD03271307
ZINC000002114088
ZINC000002114090
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