Vitas-M small molecule compound
4-[5-(naphthalen-1-yl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Catalog ID
STL055864
SMILES O=C(c1ccccc1)Oc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc2c1cccc2)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 C34H23N3O7 MW 585.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H23N3O7/c38-32-29-30(22-16-18-26(19-17-22)43-34(40)23-9-2-1-3-10-23)36(24-12-7-13-25(20-24)37(41)42)44-31(29)33(39)35(32)28-15-6-11-21-8-4-5-14-27(21)28/h1-20,29-31HInChIKey
BWYFQTHFDLOHJB-UHFFFAOYSA-NSynonyms
(4(5NAPHTHALEN1YL2(3NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
4(5(naphthalen1yl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
4(5(naphthalen1yl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC=CC6=CC=CC=C65)ON3C7=CC(=CC=C7)(N+)(=O)(O)
InChI=1SC34H23N3O7c38322930(22161826(191722)4334(40)2392131023)36(241271325(2024)37(41)42)4431(29)33(39)35(32)2815611218451427(21)28h1202931H
MFCD05730154
O=C(c1ccccc1)Oc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc2c1cccc2)c1cccc(c1)(N+)(=O)(O)
ZINC000102894972
ZINC000227243186
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.