Vitas-M small molecule compound

9-chloro-2-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK867506
SMILES COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OC2c1ccncc1

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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 C22H18ClN3O2 MW 391.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O2/c1-27-17-5-2-14(3-6-17)19-13-20-18-12-16(23)4-7-21(18)28-22(26(20)25-19)15-8-10-24-11-9-15/h2-12,20,22H,13H2,1H3
InChIKey
XGDNAHHETPDYMY-UHFFFAOYSA-N
Synonyms
332062-30-3
1(2CHLORO6(4PYRIDYL)(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN9YL))4METHOXYBENZENE
332062303
9chloro2(4methoxyphenyl)5(pyridin4yl)110bdihydropyrazolo(15c)(13)benzoxazine
9CHLORO2(4METHOXYPHENYL)5(PYRIDIN4YL)510BDIHYDRO1HBENZO(E)PYRAZOLO(15C)(13)OXAZINE
9CHLORO2(4METHOXYPHENYL)5PYRIDIN4YL110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE
9CHLORO2(4METHOXYPHENYL)5PYRIDIN4YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC=NC=C5
InChI=1SC22H18ClN3O2c127175214(3617)191320181216(23)4721(18)2822(26(20)2519)158102411915h2122022H13H21H3
MFCD01542697
ZINC000001453769
ZINC000245170782

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.