Vitas-M small molecule compound
1-{6-[5-(4-fluorophenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK521001
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(o1)c1ccc(cc1)F
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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 C24H19FN4O3S MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19FN4O3S/c1-3-20(30)29-17-7-5-4-6-16(17)21-22(26-24(33-2)28-27-21)32-23(29)19-13-12-18(31-19)14-8-10-15(25)11-9-14/h4-13,23H,3H2,1-2H3InChIKey
CWOKUMKMNQUUGQ-UHFFFAOYSA-NSynonyms
1(6(5(4fluorophenyl)furan2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(5(4FLUOROPHENYL)FURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(5(4FLUOROPHENYL)2FURYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC=C(C=C5)F
InChI=1SC24H19FN4O3Sc1320(30)2917754616(17)2122(2624(332)282721)3223(29)19131218(3119)1481015(25)11914h41323H3H212H3
MFCD02376783
ZINC000000684498
ZINC000000684499
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