Vitas-M small molecule compound

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

Catalog ID
STL055500
SMILES CCOc1cccc(c1)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/c1-3-37-19-10-6-7-16(14-19)29-26(33)22-23(15-11-20(28)24(32)21(12-15)38-4-2)30(39-25(22)27(29)34)17-8-5-9-18(13-17)31(35)36/h5-14,22-23,25,32H,3-4H2,1-2H3
InChIKey
HOOJZYRVUJCISB-UHFFFAOYSA-N
Synonyms
1024363-52-7
1024363527
3(3BROMO5ETHOXY4HYDROXYPHENYL)5(3ETHOXYPHENYL)2(3NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3(3bromo5ethoxy4hydroxyphenyl)5(3ethoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(3bromo5ethoxy4hydroxyphenyl)5(3ethoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
CCOC1=CC=CC(=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC(=C(C(=C5)Br)O)OCC
CCOc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1cc(Br)c(c(c1)OCC)O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC27H24BrN3O8c133719106716(1419)2926(33)2223(151120(28)24(32)21(1215)3842)30(3925(22)27(29)34)1785918(1317)31(35)36h51422232532H34H212H3
MFCD05727241
ZINC000102973692
ZINC000245246080

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Available files

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