Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-9-bromo-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL054251
SMILES Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)[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 C23H16BrN3O5 MW 494.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrN3O5/c24-15-4-8-20-17(10-15)19-11-18(14-3-7-21-22(9-14)31-12-30-21)25-26(19)23(32-20)13-1-5-16(6-2-13)27(28)29/h1-10,19,23H,11-12H2InChIKey
GTIWCDBYJAWIOT-UHFFFAOYSA-NSynonyms
714948-50-22(13benzodioxol5yl)9bromo5(4nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(13BENZODIOXOL5YL)9BROMO5(4NITROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
2(benzo(d)(13)dioxol5yl)9bromo5(4nitrophenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
714948502
Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)(N+)(=O)(O))c1ccc2c(c1)OCO2
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC23H16BrN3O5c2415482017(1015)191118(14372122(914)31123021)2526(19)23(3220)131516(6213)27(28)29h1101923H1112H2
MFCD04198132
ZINC000009210591
ZINC000013787252
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