Vitas-M small molecule compound
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzonitrile
Catalog ID
STL112541
SMILES N#Cc1ccc(cc1)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCCO2
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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 C25H19N3O3 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O3/c26-15-16-5-7-17(8-6-16)25-28-21(19-3-1-2-4-22(19)31-25)14-20(27-28)18-9-10-23-24(13-18)30-12-11-29-23/h1-10,13,21,25H,11-12,14H2InChIKey
XWMSOWUENZYUSS-UHFFFAOYSA-NSynonyms
519047-72-44(2(23dihydro14benzodioxin6yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)benzonitrile
4(2(23DIHYDRO14BENZODIOXIN6YL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)BENZONITRILE
519047724
C1COC2=C(O1)C=CC(=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C6=CC=C(C=C6)C#N
InChI=1SC25H19N3O3c2615165717(8616)252821(19312422(19)3125)1420(2728)189102324(1318)3012112923h110132125H111214H2
MFCD02711406
ZINC000005603188
ZINC000012561683
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