Vitas-M small molecule compound
4-[5-(4-methoxyphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Catalog ID
STL049105
SMILES COc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]
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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 C31H23N3O8 MW 565.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N3O8/c1-40-24-16-12-21(13-17-24)32-29(35)26-27(19-10-14-25(15-11-19)41-31(37)20-6-3-2-4-7-20)33(42-28(26)30(32)36)22-8-5-9-23(18-22)34(38)39/h2-18,26-28H,1H3InChIKey
COHIBGBERYDFRK-UHFFFAOYSA-NSynonyms
(4(5(4METHOXYPHENYL)2(3NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
4(5(4methoxyphenyl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
4(5(4methoxyphenyl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
COc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC31H23N3O8c14024161221(131724)3229(35)2627(19101425(151119)4131(37)206324720)33(4228(26)30(32)36)2285923(1822)34(38)39h2182628H1H3
MFCD05728785
ZINC000001315479
ZINC000245245248
Check stock
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Check stock on Vitas-MAvailable files
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