Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-9-chloro-5-(3-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL055548
SMILES Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)[N+](=O)[O-])c1ccc2c(c1)OCO2
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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 C23H16ClN3O5 MW 449.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O5/c24-15-5-7-20-17(10-15)19-11-18(13-4-6-21-22(9-13)31-12-30-21)25-26(19)23(32-20)14-2-1-3-16(8-14)27(28)29/h1-10,19,23H,11-12H2InChIKey
XCCBACCAKQHQRU-UHFFFAOYSA-NSynonyms
714936-75-12(13benzodioxol5yl)9chloro5(3nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(13BENZODIOXOL5YL)9CHLORO5(3NITROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
2(benzo(d)(13)dioxol5yl)9chloro5(3nitrophenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
714936751
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=C(C=C4)OCO5)C6=CC(=CC=C6)(N+)(=O)(O)
Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)(N+)(=O)(O))c1ccc2c(c1)OCO2
InChI=1SC23H16ClN3O5c2415572017(1015)191118(13462122(913)31123021)2526(19)23(3220)1421316(814)27(28)29h1101923H1112H2
MFCD04190455
ZINC000009411553
ZINC000013779003
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