Vitas-M small molecule compound
4-[5-(2-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Catalog ID
STK569692
SMILES [O-][N+](=O)c1cccc(c1)N1OC2C(C1c1ccc(cc1)OC(=O)c1ccccc1)C(=O)N(C2=O)c1ccccc1C
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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 C31H23N3O7 MW 549.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N3O7/c1-19-8-5-6-13-25(19)32-29(35)26-27(20-14-16-24(17-15-20)40-31(37)21-9-3-2-4-10-21)33(41-28(26)30(32)36)22-11-7-12-23(18-22)34(38)39/h2-18,26-28H,1H3InChIKey
WUEIGWUXFIVMAO-UHFFFAOYSA-NSynonyms
1022697-02-4(4(5(2METHYLPHENYL)2(3NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
(O)(N+)(=O)c1cccc(c1)N1OC2C(C1c1ccc(cc1)OC(=O)c1ccccc1)C(=O)N(C2=O)c1ccccc1C
1022697024
4(2(3nitrophenyl)46dioxo5(otolyl)hexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
4(5(2methylphenyl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
4(5(2METHYLPHENYL)2(3NITROPHENYL)46DIOXOHEXAHYDRO2HPYRROLO(34D)ISOXAZOL3YL)PHENYLBENZOATE
CC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
InChI=1SC31H23N3O7c1198561325(19)3229(35)2627(20141624(171520)4031(37)2193241021)33(4128(26)30(32)36)221171223(1822)34(38)39h2182628H1H3
MFCD04166083
ZINC000102743373
ZINC000245328710
Check stock
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Check stock on Vitas-MAvailable files
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