Vitas-M small molecule compound
6-[5-(4-bromophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2,3-dimethoxybenzoic acid
Catalog ID
STK568678
SMILES COc1ccc(c(c1OC)C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)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 C26H21BrN2O7 MW 553.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN2O7/c1-34-18-13-12-17(19(26(32)33)22(18)35-2)21-20-23(36-29(21)16-6-4-3-5-7-16)25(31)28(24(20)30)15-10-8-14(27)9-11-15/h3-13,20-21,23H,1-2H3,(H,32,33)InChIKey
YJAORXRYIKPBMF-UHFFFAOYSA-NSynonyms
6(5(4BROMOPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)23DIMETHOXYBENZOICACID
6(5(4bromophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)23dimethoxybenzoicacid
6(5(4bromophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)23dimethoxybenzoicacid
COC1=C(C(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)ON2C5=CC=CC=C5)C(=O)O)OC
InChI=1SC26H21BrN2O7c13418131217(19(26(32)33)22(18)352)212023(3629(21)166435716)25(31)28(24(20)30)1510814(27)91115h313202123H12H3(H3233)
MFCD04181467
ZINC000001276397
ZINC000227022586
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