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 benzoate
Catalog ID
STL053503
SMILES COc1cc(ccc1OC(=O)c1ccccc1)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 C31H23N3O8 MW 565.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N3O8/c1-40-25-18-20(12-17-24(25)41-31(37)19-8-4-2-5-9-19)27-26-28(42-33(27)22-10-6-3-7-11-22)30(36)32(29(26)35)21-13-15-23(16-14-21)34(38)39/h2-18,26-28H,1H3InChIKey
NACQJOHCJVBLGN-UHFFFAOYSA-NSynonyms
(2METHOXY4(5(4NITROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
2methoxy4(5(4nitrophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
2methoxy4(5(4nitrophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
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=CC=C6
COc1cc(ccc1OC(=O)c1ccccc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC31H23N3O8c140251820(121724(25)4131(37)198425919)272628(4233(27)22106371122)30(36)32(29(26)35)21131523(161421)34(38)39h2182628H1H3
MFCD05737453
ZINC000102893272
ZINC000227240959
Check stock
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Check stock on Vitas-MAvailable files
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