Vitas-M small molecule compound

3-(3-bromo-4-methoxyphenyl)-5-(4-ethoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

Catalog ID
STL056490
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1)Br)OC)c1cccc(c1)[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 C26H22BrN3O7 MW 568.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN3O7/c1-3-36-19-10-8-16(9-11-19)28-25(31)22-23(15-7-12-21(35-2)20(27)13-15)29(37-24(22)26(28)32)17-5-4-6-18(14-17)30(33)34/h4-14,22-24H,3H2,1-2H3
InChIKey
ZVDLMIMHKPDZTD-UHFFFAOYSA-N
Synonyms

3(3BROMO4METHOXYPHENYL)5(4ETHOXYPHENYL)2(3NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3(3bromo4methoxyphenyl)5(4ethoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(3bromo4methoxyphenyl)5(4ethoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC(=C(C=C5)OC)Br
CCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1)Br)OC)c1cccc(c1)(N+)(=O)(O)
InChI=1SC26H22BrN3O7c13361910816(91119)2825(31)2223(1571221(352)20(27)1315)29(3724(22)26(28)32)1754618(1417)30(33)34h4142224H3H212H3
MFCD05736472
ZINC000001316019
ZINC000245247959

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Available files

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