Vitas-M small molecule compound

4-(5-benzyl-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)benzoic acid

Catalog ID
STL347454
SMILES O=C1N(Cc2ccccc2)C(=O)C2C1C(c1ccc(cc1)C(=O)O)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 C25H20N2O5 MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5/c28-23-20-21(17-11-13-18(14-12-17)25(30)31)27(19-9-5-2-6-10-19)32-22(20)24(29)26(23)15-16-7-3-1-4-8-16/h1-14,20-22H,15H2,(H,30,31)
InChIKey
RGYDKIXXTXIIGP-UHFFFAOYSA-N
Synonyms
1022122-90-2
1022122902
4(5BENZYL46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)BENZOICACID
4(5benzyl46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)benzoicacid
4(5BENZYL46DIOXO2PHENYLHEXAHYDRO2HPYRROLO(34D)ISOXAZOL3YL)BENZOICACID
C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O
InChI=1SC25H20N2O5c28232021(17111318(141217)25(30)31)27(1995261019)3222(20)24(29)26(23)15167314816h1142022H15H2(H3031)
MFCD05682516
ZINC000009307280
ZINC000102760536

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Available files

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