Vitas-M small molecule compound

ethyl methyl 4,4'-(3-methyl-6-oxo-2,6-dihydropyrrolo[3,4-c]pyrazole-4,5(4H)-diyl)dibenzoate

Catalog ID
STL049654
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c([nH]n2)C

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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 C23H21N3O5 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5/c1-4-31-23(29)16-9-11-17(12-10-16)26-20(18-13(2)24-25-19(18)21(26)27)14-5-7-15(8-6-14)22(28)30-3/h5-12,20H,4H2,1-3H3,(H,24,25)
InChIKey
GTOXUPFTNBKAIO-UHFFFAOYSA-N
Synonyms
840517-30-8
840517308
CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC=C(C=C4)C(=O)OC
CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c((nH)n2)C
CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)C(=O)OC)c2c(C1=O)(nH)nc2C
ETHYL4(4(4(METHOXYCARBONYL)PHENYL)3METHYL6OXO46DIHYDROPYRROLO(34C)PYRAZOL5(1H)YL)BENZOATE
ethyl4(4(4(methoxycarbonyl)phenyl)3methyl6oxopyrrolo(34c)pyrazol5(1H4H6H)yl)benzoate
ethylmethyl44(3methyl6oxo26dihydropyrrolo(34c)pyrazole45(4H)diyl)dibenzoate
InChI=1SC23H21N3O5c143123(29)1691117(121016)2620(1813(2)242519(18)21(26)27)145715(8614)22(28)303h51220H4H213H3(H2425)
METHYL4(5(4ETHOXYCARBONYLPHENYL)3METHYL6OXO24DIHYDROPYRROLO(34C)PYRAZOL4YL)BENZOATE
MFCD05737231
ZINC000004928865
ZINC000004928866

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Available files

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