Vitas-M small molecule compound
1-[3-(prop-2-en-1-ylsulfanyl)-6-(pyridin-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980173
SMILES C=CCSc1nnc2c(n1)OC(c1ccccn1)N(c1c2cccc1)C(=O)CC
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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 C21H19N5O2S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2S/c1-3-13-29-21-23-19-18(24-25-21)14-9-5-6-11-16(14)26(17(27)4-2)20(28-19)15-10-7-8-12-22-15/h3,5-12,20H,1,4,13H2,2H3InChIKey
ZSPNRRADTKYJMX-UHFFFAOYSA-NSynonyms
1(3(prop2en1ylsulfanyl)6(pyridin2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3PROP2ENYLSULFANYL6PYRIDIN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=CC=N4
InChI=1SC21H19N5O2Sc13132921231918(242521)149561116(14)26(17(27)42)20(2819)151078122215h351220H1413H22H3
MFCD03784965
ZINC000002463704
ZINC000002463707
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