Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(pyridin-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521212
SMILES 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 C20H19N5O2S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O2S/c1-3-16(26)25-15-11-6-5-9-13(15)17-18(22-20(24-23-17)28-4-2)27-19(25)14-10-7-8-12-21-14/h5-12,19H,3-4H2,1-2H3InChIKey
IHOCIXKYLMLOQP-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(pyridin2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3ETHYLSULFANYL6PYRIDIN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC=CC=N4
InChI=1SC20H19N5O2Sc1316(26)25151165913(15)1718(2220(242317)2842)2719(25)141078122114h51219H34H212H3
MFCD03080447
ZINC000000684640
ZINC000000684641
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