Vitas-M small molecule compound
1-{6-[3-(prop-2-en-1-yloxy)phenyl]-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK980236
SMILES C=CCOc1cccc(c1)C1Oc2nc(SCC=C)nnc2c2c(N1C(=O)CC)cccc2
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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 C25H24N4O3S MW 460.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S/c1-4-14-31-18-11-9-10-17(16-18)24-29(21(30)6-3)20-13-8-7-12-19(20)22-23(32-24)26-25(28-27-22)33-15-5-2/h4-5,7-13,16,24H,1-2,6,14-15H2,3H3InChIKey
BEXOWNJKYIKJKC-UHFFFAOYSA-NSynonyms
1(6(3(prop2en1yloxy)phenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3PROP2ENOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
ALLYL3(3(ALLYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLETHER
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=CC=C4)OCC=C
InChI=1SC25H24N4O3Sc141431181191017(1618)2429(21(30)63)2013871219(20)2223(3224)2625(282722)331552h457131624H1261415H23H3
MFCD03785005
ZINC000002122485
ZINC000002122487
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