Vitas-M small molecule compound
4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-methoxyphenyl 4-fluorobenzoate
Catalog ID
STL055499
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)F)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)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 C31H22ClFN2O6 MW 572.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22ClFN2O6/c1-39-25-17-19(9-16-24(25)40-31(38)18-7-12-21(33)13-8-18)27-26-28(41-35(27)23-5-3-2-4-6-23)30(37)34(29(26)36)22-14-10-20(32)11-15-22/h2-17,26-28H,1H3InChIKey
MERBINIMWJKIGN-UHFFFAOYSA-NSynonyms
(4(5(4CHLOROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)2METHOXYPHENYL)4FLUOROBENZOATE
4(5(4chlorophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)2methoxyphenyl4fluorobenzoate
4(5(4chlorophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)2methoxyphenyl4fluorobenzoate
COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)ON2C5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)F
InChI=1SC31H22ClFN2O6c139251719(91624(25)4031(38)1871221(33)13818)272628(4135(27)235324623)30(37)34(29(26)36)22141020(32)111522h2172628H1H3
MFCD05736596
ZINC000002589119
ZINC000227242445
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