Vitas-M small molecule compound
1-[6-(2-butoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521235
SMILES CCCCOc1ccccc1C1Oc2nc(SCC)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 C25H28N4O3S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S/c1-4-7-16-31-20-15-11-9-13-18(20)24-29(21(30)5-2)19-14-10-8-12-17(19)22-23(32-24)26-25(28-27-22)33-6-3/h8-15,24H,4-7,16H2,1-3H3InChIKey
PVOUNMOULARDOV-UHFFFAOYSA-NSynonyms
1(6(2butoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2BUTOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
BUTYLIODO4PROPOXYBENZYLIDENE)2(1NAPHTHYLAMINO)13THIAZOL4(5H)ONE
CCCCOC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)C(=O)CC
InChI=1SC25H28N4O3Sc147163120151191318(20)2429(21(30)52)19141081217(19)2223(3224)2625(282722)3363h81524H4716H213H3
MFCD03080486
ZINC000002113928
ZINC000002113930
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