Vitas-M small molecule compound
methyl 2-[3-(4-bromophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Catalog ID
STL235051
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)Br
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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 C25H19BrN2O5 MW 507.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN2O5/c1-32-25(31)18-9-5-6-10-19(18)27-23(29)20-21(15-11-13-16(26)14-12-15)28(33-22(20)24(27)30)17-7-3-2-4-8-17/h2-14,20-22H,1H3InChIKey
TZXMIPCFKPQTNA-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)Br
InChI=1SC25H19BrN2O5c13225(31)189561019(18)2723(29)2021(15111316(26)141215)28(3322(20)24(27)30)177324817h2142022H1H3
methyl2((3aR6aS)3(4bromophenyl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)benzoate
METHYL2(3(4BROMOPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)BENZOATE
methyl2(3(4bromophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoate
MFCD24858501
ZINC000107175463
ZINC000247855418
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