Vitas-M small molecule compound

methyl (4E)-4-(2-oxo-5-phenyl-1,2-dihydro-3H-pyrrol-3-ylidene)-4-phenylbutanoate

Catalog ID
STK386448
SMILES COC(=O)CC/C(=C\1/C=C(NC1=O)c1ccccc1)/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 C21H19NO3 MW 333.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO3/c1-25-20(23)13-12-17(15-8-4-2-5-9-15)18-14-19(22-21(18)24)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,22,24)/b18-17+
InChIKey
VUCRHWXFLZOEEP-ISLYRVAYSA-N
Synonyms
1164510-38-6
(4E)4(2KETO5PHENYL2PYRROLIN3YLIDENE)4PHENYLBUTYRICACIDMETHYLESTER
(4E)4(2OXO5PHENYL1HPYRROL3YLIDENE)4PHENYLBUTANOICACIDMETHYLESTER
(E)methyl4(2oxo5phenyl1Hpyrrol3(2H)ylidene)4phenylbutanoate
1164510386
4(2OXO5PHENYL12DIHYDROPYRROL(3E)YLIDENE)4PHENYLBUTYRICACIDMETHYLESTER
COC(=O)CCC(=C1C=C(NC1=O)c1ccccc1)c1ccccc1
COC(=O)CCC(=C1C=C(NC1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI=1SC21H19NO3c12520(23)131217(158425915)181419(2221(18)24)16106371116h21114H1213H21H3(H2224)b1817+
METHYL(4E)4(2OXIDANYLIDENE5PHENYL1HPYRROL3YLIDENE)4PHENYLBUTANOATE
METHYL(4E)4(2OXO5PHENYL12DIHYDRO3HPYRROL3YLIDENE)4PHENYLBUTANOATE
METHYL(4E)4(2OXO5PHENYL1HPYRROL3YLIDENE)4PHENYLBUTANOATE
METHYL4(2OXO5PHENYLAZOLIN3YLIDENE)4PHENYLBUTANOATE
MFCD01550224
ZINC000000491472
ZINC00491472
ZINC491472

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.