Vitas-M small molecule compound
3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-ethoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Catalog ID
STL049358
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1cc(Br)c(c(c1)OCC)O)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 C27H24BrN3O8 MW 598.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrN3O8/c1-3-37-19-10-8-16(9-11-19)29-26(33)22-23(15-12-20(28)24(32)21(13-15)38-4-2)30(39-25(22)27(29)34)17-6-5-7-18(14-17)31(35)36/h5-14,22-23,25,32H,3-4H2,1-2H3InChIKey
GTUXVSNIMFGURM-UHFFFAOYSA-NSynonyms
1024332-49-71024332497
3(3BROMO5ETHOXY4HYDROXYPHENYL)5(4ETHOXYPHENYL)2(3NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3(3bromo5ethoxy4hydroxyphenyl)5(4ethoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(3bromo5ethoxy4hydroxyphenyl)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)Br)O)OCC
CCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1cc(Br)c(c(c1)OCC)O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC27H24BrN3O8c13371910816(91119)2926(33)2223(151220(28)24(32)21(1315)3842)30(3925(22)27(29)34)1765718(1417)31(35)36h51422232532H34H212H3
MFCD05727720
ZINC000105990242
ZINC000245246055
Check stock
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Check stock on Vitas-MAvailable files
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