Vitas-M small molecule compound
4-[3-(3-ethoxy-4-propoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Catalog ID
STL349247
SMILES CCCOc1ccc(cc1OCC)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C#N)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 C29H27N3O5 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O5/c1-3-16-36-23-15-12-20(17-24(23)35-4-2)26-25-27(37-32(26)22-8-6-5-7-9-22)29(34)31(28(25)33)21-13-10-19(18-30)11-14-21/h5-15,17,25-27H,3-4,16H2,1-2H3InChIKey
CZXINPNTHRBICH-UHFFFAOYSA-NSynonyms
1022564-03-91022564039
4(3(3ETHOXY4PROPOXYPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)BENZONITRILE
4(3(3ethoxy4propoxyphenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)benzonitrile
4(3(3ethoxy4propoxyphenyl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)benzonitrile
CCCOC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)ON2C5=CC=CC=C5)OCC
InChI=1SC29H27N3O5c13163623151220(1724(23)3542)262527(3732(26)228657922)29(34)31(28(25)33)21131019(1830)111421h515172527H3416H212H3
MFCD05702361
ZINC000018066046
ZINC000226873245
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