Vitas-M small molecule compound

4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate

Catalog ID
STL005649
SMILES Clc1ccc(cc1)N1OC2C(C1c1ccc(cc1)OC(=O)c1ccccc1)C(=O)N(C2=O)c1ccc(cc1)F

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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 C30H20ClFN2O5 MW 542.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H20ClFN2O5/c31-20-8-12-23(13-9-20)34-26(18-6-16-24(17-7-18)38-30(37)19-4-2-1-3-5-19)25-27(39-34)29(36)33(28(25)35)22-14-10-21(32)11-15-22/h1-17,25-27H
InChIKey
LMJKUQKVRQKBDU-UHFFFAOYSA-N
Synonyms
1024528-79-7
(4(2(4CHLOROPHENYL)5(4FLUOROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
1024528797
4(2(4chlorophenyl)5(4fluorophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
4(2(4chlorophenyl)5(4fluorophenyl)46dioxohexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)F)ON3C6=CC=C(C=C6)Cl
InChI=1SC30H20ClFN2O5c312081223(13920)3426(1861624(17718)3830(37)194213519)2527(3934)29(36)33(28(25)35)22141021(32)111522h1172527H
MFCD04186125
ZINC000097954679
ZINC000226832006

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Available files

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