Vitas-M small molecule compound

5-(2,6-dichlorophenyl)-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

Catalog ID
STK551517
SMILES O=C1C2C(c3cccc(c3)[N+](=O)[O-])N(OC2C(=O)N1c1c(Cl)cccc1Cl)c1ccccc1

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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 C23H15Cl2N3O5 MW 484.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15Cl2N3O5/c24-16-10-5-11-17(25)20(16)26-22(29)18-19(13-6-4-9-15(12-13)28(31)32)27(33-21(18)23(26)30)14-7-2-1-3-8-14/h1-12,18-19,21H
InChIKey
ZZGDUMSFNPCPEV-UHFFFAOYSA-N
Synonyms
1022457-91-5
1022457915
5(26DICHLOROPHENYL)3(3NITROPHENYL)2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
5(26dichlorophenyl)3(3nitrophenyl)2phenyldihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
5(26DICHLOROPHENYL)3(3NITROPHENYL)2PHENYLDIHYDRO2HPYRROLO(34D)ISOXAZOLE46(3H5H)DIONE
5(26dichlorophenyl)3(3nitrophenyl)2phenyldihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=C(C=CC=C4Cl)Cl)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC23H15Cl2N3O5c24161051117(25)20(16)2622(29)1819(1364915(1213)28(31)32)27(3321(18)23(26)30)147213814h112181921H
MFCD03674042
O=C1C2C(c3cccc(c3)(N+)(=O)(O))N(OC2C(=O)N1c1c(Cl)cccc1Cl)c1ccccc1
ZINC000009075960
ZINC000229971760

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Available files

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