Vitas-M small molecule compound

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

Catalog ID
STK567395
SMILES CCOc1cc(cc(c1O)Br)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[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 C25H19BrN4O9 MW 599.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN4O9/c1-2-38-19-11-13(10-18(26)22(19)31)21-20-23(39-28(21)16-4-3-5-17(12-16)30(36)37)25(33)27(24(20)32)14-6-8-15(9-7-14)29(34)35/h3-12,20-21,23,31H,2H2,1H3
InChIKey
OBCHPPWWIMNPNJ-UHFFFAOYSA-N
Synonyms
1024407-99-5
1024407995
3(3BROMO5ETHOXY4HYDROXYPHENYL)2(3NITROPHENYL)5(4NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3(3bromo5ethoxy4hydroxyphenyl)2(3nitrophenyl)5(4nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(3bromo5ethoxy4hydroxyphenyl)2(3nitrophenyl)5(4nitrophenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
CCOC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))ON2C5=CC(=CC=C5)(N+)(=O)(O))Br)O
CCOc1cc(cc(c1O)Br)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H19BrN4O9c1238191113(1018(26)22(19)31)212023(3928(21)1643517(1216)30(36)37)25(33)27(24(20)32)146815(9714)29(34)35h31220212331H2H21H3
MFCD05733185
ZINC000101673366
ZINC000227017879

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Available files

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