Vitas-M small molecule compound
4-[3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Catalog ID
STL349310
SMILES CCCCOc1ccc(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 C30H29N3O5 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O5/c1-3-5-17-37-24-16-13-21(18-25(24)36-4-2)27-26-28(38-33(27)23-9-7-6-8-10-23)30(35)32(29(26)34)22-14-11-20(19-31)12-15-22/h6-16,18,26-28H,3-5,17H2,1-2H3InChIKey
GZCWSEBHFBQBQX-UHFFFAOYSA-NSynonyms
1022297-37-51022297375
4(3(4BUTOXY3ETHOXYPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)BENZONITRILE
4(3(4butoxy3ethoxyphenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)benzonitrile
4(3(4butoxy3ethoxyphenyl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)benzonitrile
CCCCOC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)ON2C5=CC=CC=C5)OCC
InChI=1SC30H29N3O5c135173724161321(1825(24)3642)272628(3833(27)2397681023)30(35)32(29(26)34)22141120(1931)121522h616182628H3517H212H3
MFCD05703761
ZINC000018045345
ZINC000226873315
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