Vitas-M small molecule compound
2-{2-[(3aS,6aS)-5-benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK530580
SMILES O=C1N(Cc2ccccc2)C(=O)[C@@H]2[C@H]1C(=NN2)C(=O)CN1C(=O)c2c(C1=O)cccc2
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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 C22H16N4O5 MW 416.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O5/c27-15(11-26-19(28)13-8-4-5-9-14(13)20(26)29)17-16-18(24-23-17)22(31)25(21(16)30)10-12-6-2-1-3-7-12/h1-9,16,18,24H,10-11H2/t16-,18+/m1/s1InChIKey
LZCRMOTXWBPOGR-AEFFLSMTSA-NSynonyms
2(2((3aS6aS)5benzyl46dioxo13a4566ahexahydropyrrolo(34c)pyrazol3yl)2oxoethyl)1Hisoindole13(2H)dione
2(2((3aS6aS)5benzyl46dioxo13a4566ahexahydropyrrolo(34c)pyrazol3yl)2oxoethyl)isoindoline13dione
2(2((3aS6aS)5benzyl46dioxo3a6adihydro1Hpyrrolo(34c)pyrazol3yl)2oxoethyl)isoindole13dione
C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)NN=C3C(=O)CN4C(=O)C5=CC=CC=C5C4=O
InChI=1SC22H16N4O5c2715(112619(28)13845914(13)20(26)29)171618(242317)22(31)25(21(16)30)10126213712h19161824H1011H2t1618+m1s1
MFCD18241595
O=C1N(Cc2ccccc2)C(=O)(C@@H)2(C@H)1C(=NN2)C(=O)CN1C(=O)c2c(C1=O)cccc2
ZINC000012436961
ZINC12436961
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