Vitas-M small molecule compound

methyl 4-[5-(2-methoxyethyl)-6-oxo-3-phenyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate

Catalog ID
STK643947
SMILES COCCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c([nH]n2)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/c1-28-13-12-25-20(15-8-10-16(11-9-15)22(27)29-2)17-18(14-6-4-3-5-7-14)23-24-19(17)21(25)26/h3-11,20H,12-13H2,1-2H3,(H,23,24)
InChIKey
LMTDYGYUAKWCGI-UHFFFAOYSA-N
Synonyms
944785-63-1
944785631
COCCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c((nH)n2)c1ccccc1
COCCN1C(C2=C(C1=O)NN=C2C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC
COCCN1C(c2ccc(cc2)C(=O)OC)c2c(C1=O)(nH)nc2c1ccccc1
InChI=1SC22H21N3O4c12813122520(1581016(11915)22(27)292)1718(146435714)232419(17)21(25)26h31120H1213H212H3(H2324)
methyl4(5(2methoxyethyl)6oxo3phenyl1456tetrahydropyrrolo(34c)pyrazol4yl)benzoate
methyl4(5(2methoxyethyl)6oxo3phenyl14dihydropyrrolo(34c)pyrazol4yl)benzoate
methyl4(5(2methoxyethyl)6oxo3phenyl2456tetrahydropyrrolo(34c)pyrazol4yl)benzoate
MFCD18163467
ZINC000012323916
ZINC000012323917

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Available files

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