Vitas-M small molecule compound

methyl 4-{2-(4-chlorophenyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl}benzoate

Catalog ID
STL019813
SMILES COC(=O)c1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)Cl

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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 C26H18ClF3N2O5 MW 530.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClF3N2O5/c1-36-25(35)15-7-5-14(6-8-15)21-20-22(37-32(21)18-11-9-17(27)10-12-18)24(34)31(23(20)33)19-4-2-3-16(13-19)26(28,29)30/h2-13,20-22H,1H3
InChIKey
QTIPIEDCOGDDPQ-UHFFFAOYSA-N
Synonyms
1005056-46-1
1005056461
COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)ON2C5=CC=C(C=C5)Cl
InChI=1SC26H18ClF3N2O5c13625(35)157514(6815)212022(3732(21)1811917(27)101218)24(34)31(23(20)33)1942316(1319)26(2829)30h2132022H1H3
METHYL4(2(4CHLOROPHENYL)46DIOXO5(3(TRIFLUOROMETHYL)PHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)BENZOATE
methyl4(2(4chlorophenyl)46dioxo5(3(trifluoromethyl)phenyl)hexahydro2Hpyrrolo(34d)(12)oxazol3yl)benzoate
METHYL4(2(4CHLOROPHENYL)46DIOXO5(3(TRIFLUOROMETHYL)PHENYL)HEXAHYDRO2HPYRROLO(34D)ISOXAZOL3YL)BENZOATE
MFCD05744479
ZINC000001304569
ZINC000170620900

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Available files

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