Vitas-M small molecule compound
10-(1,3-benzodioxol-5-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonitrile
Catalog ID
STL242797
SMILES N#CC1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCO2
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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 C22H15N3O4 MW 385.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O4/c23-10-15-18-19(20-14-4-2-1-3-12(14)7-8-24(15)20)22(27)25(21(18)26)13-5-6-16-17(9-13)29-11-28-16/h1-9,15,18-20H,11H2InChIKey
UNVPUHZRXIYYLI-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
10(13benzodioxol5yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(N5C=CC6=CC=CC=C6C5C4C3=O)C#N
InChI=1SC22H15N3O4c2310151819(2014421312(14)7824(15)20)22(27)25(21(18)26)13561617(913)29112816h19151820H11H2
MFCD24859408
N#C(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCO2
ZINC000016033525
ZINC000247662769
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