Vitas-M small molecule compound

2-(3,4-dimethoxyphenyl)-9-nitro-5-(3-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK739911
SMILES COc1ccc(cc1OC)C1=NN2C(C1)c1cc(ccc1OC2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

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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 C24H20N4O7 MW 476.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O7/c1-33-22-8-6-14(11-23(22)34-2)19-13-20-18-12-17(28(31)32)7-9-21(18)35-24(26(20)25-19)15-4-3-5-16(10-15)27(29)30/h3-12,20,24H,13H2,1-2H3
InChIKey
CHRJHEBVQLQVCU-UHFFFAOYSA-N
Synonyms
371126-74-8
12DIMETHOXY4(2NITRO6(3NITROPHENYL)(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN9YL))BENZENE
2(34dimethoxyphenyl)9nitro5(3nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(34dimethoxyphenyl)9nitro5(3nitrophenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
2(34DIMETHOXYPHENYL)9NITRO5(3NITROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
371126748
COC1=C(C=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)(N+)(=O)(O))OC3C5=CC(=CC=C5)(N+)(=O)(O))OC
COc1ccc(cc1OC)C1=NN2C(C1)c1cc(ccc1OC2c1cccc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC24H20N4O7c133228614(1123(22)342)191320181217(28(31)32)7921(18)3524(26(20)2519)1543516(1015)27(29)30h3122024H13H212H3
MFCD03008056
ZINC000008817677
ZINC000239284874

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Available files

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