Vitas-M small molecule compound
2-methoxy-4-[5-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl 4-fluorobenzoate
Catalog ID
STL055132
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)F)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])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 C31H22FN3O8 MW 583.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22FN3O8/c1-41-25-17-19(9-16-24(25)42-31(38)18-7-10-20(32)11-8-18)27-26-28(43-34(27)22-5-3-2-4-6-22)30(37)33(29(26)36)21-12-14-23(15-13-21)35(39)40/h2-17,26-28H,1H3InChIKey
BVDAAQKWCKLXRL-UHFFFAOYSA-NSynonyms
(2METHOXY4(5(4NITROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)4FLUOROBENZOATE
2methoxy4(5(4nitrophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenyl4fluorobenzoate
2methoxy4(5(4nitrophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)phenyl4fluorobenzoate
COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))ON2C5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)F
COc1cc(ccc1OC(=O)c1ccc(cc1)F)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC31H22FN3O8c141251719(91624(25)4231(38)1871020(32)11818)272628(4334(27)225324622)30(37)33(29(26)36)21121423(151321)35(39)40h2172628H1H3
MFCD05724355
ZINC000102890790
ZINC000227236722
Check stock
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Check stock on Vitas-MAvailable files
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