Vitas-M small molecule compound

2-{3-[(3aS,6aS)-5-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STK542077
SMILES Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)NN=C2C(=O)CCN1C(=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 C22H15ClN4O5 MW 450.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN4O5/c23-11-4-3-5-12(10-11)27-21(31)16-17(24-25-18(16)22(27)32)15(28)8-9-26-19(29)13-6-1-2-7-14(13)20(26)30/h1-7,10,16,18,25H,8-9H2/t16-,18+/m1/s1
InChIKey
OSDRGYHAAJZKRC-AEFFLSMTSA-N
Synonyms
956238-32-7
2(3((3aS6aS)5(3chlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazol3yl)3oxopropyl)1Hisoindole13(2H)dione
2(3((3aS6aS)5(3chlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazol3yl)3oxopropyl)isoindoline13dione
2(3((3aS6aS)5(3chlorophenyl)46dioxo3a6adihydro1Hpyrrolo(34c)pyrazol3yl)3oxopropyl)isoindole13dione
956238327
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)C3=NNC4C3C(=O)N(C4=O)C5=CC(=CC=C5)Cl
Clc1cccc(c1)N1C(=O)(C@H)2(C@@H)(C1=O)NN=C2C(=O)CCN1C(=O)c2c(C1=O)cccc2
InChI=1SC22H15ClN4O5c231143512(1011)2721(31)1617(242518(16)22(27)32)15(28)892619(29)13612714(13)20(26)30h1710161825H89H2t1618+m1s1
MFCD18241960
ZINC000009332786
ZINC09332786
ZINC9332786

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Available files

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