Vitas-M small molecule compound

ethyl 4-(1-methyl-2,5-dioxo-4-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate

Catalog ID
STK782239
SMILES CCOC(=O)c1ccc(cc1)N1CC2=C(C1=O)C(NC(=O)N2C)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 C22H21N3O4 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4/c1-3-29-21(27)15-9-11-16(12-10-15)25-13-17-18(20(25)26)19(23-22(28)24(17)2)14-7-5-4-6-8-14/h4-12,19H,3,13H2,1-2H3,(H,23,28)
InChIKey
YFHGODJIYPDRPI-UHFFFAOYSA-N
Synonyms
728035-84-5
728035845
CCOC(=O)C1=CC=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC=CC=C4
ethyl4(1methyl25dioxo4phenyl123457hexahydro6Hpyrrolo(34d)pyrimidin6yl)benzoate
ethyl4(1methyl25dioxo4phenyl34dihydro1Hpyrrolo(34d)pyrimidin6(2H5H7H)yl)benzoate
ETHYL4(1METHYL25DIOXO4PHENYL47DIHYDRO3HPYRROLO(34D)PYRIMIDIN6YL)BENZOATE
InChI=1SC22H21N3O4c132921(27)1591116(121015)25131718(20(25)26)19(2322(28)24(17)2)147546814h41219H313H212H3(H2328)
MFCD06017236
ZINC000004727959
ZINC000004727960

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Available files

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