Vitas-M small molecule compound

4-[5-(4-fluorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzenesulfonate

Catalog ID
STK997098
SMILES Fc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OS(=O)(=O)c1ccccc1)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 C29H21FN2O6S MW 544.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN2O6S/c30-20-13-15-21(16-14-20)31-28(33)25-26(32(37-27(25)29(31)34)22-7-3-1-4-8-22)19-11-17-23(18-12-19)38-39(35,36)24-9-5-2-6-10-24/h1-18,25-27H
InChIKey
HIWDNABESQCEPP-UHFFFAOYSA-N
Synonyms
1212391-38-2
(4(5(4FLUOROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZENESULFONATE
1212391382
4(5(4fluorophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzenesulfonate
4(5(4FLUOROPHENYL)46DIOXO2PHENYLHEXAHYDRO2HPYRROLO(34D)ISOXAZOL3YL)PHENYLBENZENESULFONATE
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)OS(=O)(=O)C6=CC=CC=C6
InChI=1SC29H21FN2O6Sc3020131521(161420)3128(33)2526(32(3727(25)29(31)34)227314822)19111723(181219)3839(3536)2495261024h1182527H
MFCD04165810
ZINC000002412651
ZINC000226832048

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Available files

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