Vitas-M small molecule compound

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

Catalog ID
STL041919
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C(c1ccc(cc1)C(C)(C)C)N(O2)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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c1-27(2,3)18-11-9-17(10-12-18)23-22-24(35-29(23)20-7-5-4-6-8-20)26(32)28(25(22)31)19-13-15-21(16-14-19)30(33)34/h4-16,22-24H,1-3H3
InChIKey
HVHAQXLUHGXITG-UHFFFAOYSA-N
Synonyms
1022099-86-0
1022099860
3(4(tertbutyl)phenyl)5(4nitrophenyl)2phenyldihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
3(4TERTBUTYLPHENYL)5(4NITROPHENYL)2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3(4tertbutylphenyl)5(4nitrophenyl)2phenyldihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(4TERTBUTYLPHENYL)5(4NITROPHENYL)2PHENYLDIHYDRO2HPYRROLO(34D)ISOXAZOLE46(3H5H)DIONE
CC(C)(C)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))ON2C5=CC=CC=C5
InChI=1SC27H25N3O5c127(23)1811917(101218)232224(3529(23)207546820)26(32)28(25(22)31)19131521(161419)30(33)34h4162224H13H3
MFCD04181789
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C(c1ccc(cc1)C(C)(C)C)N(O2)c1ccccc1
ZINC000018102910
ZINC000102752072

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Available files

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