Vitas-M small molecule compound

5-(3-chlorophenyl)-2-(3-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

Catalog ID
STK567609
SMILES COc1c(ccc(c1OC)OC)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)Cl)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 C26H22ClN3O8 MW 539.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O8/c1-35-19-11-10-18(22(36-2)23(19)37-3)21-20-24(38-29(21)16-8-5-9-17(13-16)30(33)34)26(32)28(25(20)31)15-7-4-6-14(27)12-15/h4-13,20-21,24H,1-3H3
InChIKey
JKHDSYGWXDPJOK-UHFFFAOYSA-N
Synonyms
1022321-80-7
1022321807
5(3CHLOROPHENYL)2(3NITROPHENYL)3(234TRIMETHOXYPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
5(3chlorophenyl)2(3nitrophenyl)3(234trimethoxyphenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
5(3chlorophenyl)2(3nitrophenyl)3(234trimethoxyphenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
COC1=C(C(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)ON2C5=CC(=CC=C5)(N+)(=O)(O))OC)OC
COc1c(ccc(c1OC)OC)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)Cl)c1cccc(c1)(N+)(=O)(O)
InChI=1SC26H22ClN3O8c13519111018(22(362)23(19)373)212024(3829(21)1685917(1316)30(33)34)26(32)28(25(20)31)1574614(27)1215h413202124H13H3
MFCD05692155
ZINC000097955080
ZINC000227018921

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Available files

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