Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-9-chloro-5-(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL235312
SMILES COc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc2c(c1)OCO2)Cl
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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 C25H21ClN2O5 MW 464.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5/c1-29-21-6-4-15(10-23(21)30-2)25-28-19(17-11-16(26)5-8-20(17)33-25)12-18(27-28)14-3-7-22-24(9-14)32-13-31-22/h3-11,19,25H,12-13H2,1-2H3InChIKey
VHJDTPIRQMMJNO-UHFFFAOYSA-NSynonyms
846587-52-82(13benzodioxol5yl)9chloro5(34dimethoxyphenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(13BENZODIOXOL5YL)9CHLORO5(34DIMETHOXYPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
2(benzo(d)(13)dioxol5yl)9chloro5(34dimethoxyphenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
846587528
COC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Cl)OC
InChI=1SC25H21ClN2O5c129216415(1023(21)302)252819(171116(26)5820(17)3325)1218(2728)14372224(914)32133122h3111925H1213H212H3
MFCD04177802
ZINC000009158039
ZINC000013776181
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