Vitas-M small molecule compound
4-[(3aS,6aS)-4,6-dioxo-3-(quinolin-2-ylcarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzonitrile
Catalog ID
STK530237
SMILES N#Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2)C(=O)c1ccc2c(n1)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 C22H13N5O3 MW 395.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13N5O3/c23-11-12-5-8-14(9-6-12)27-21(29)17-18(25-26-19(17)22(27)30)20(28)16-10-7-13-3-1-2-4-15(13)24-16/h1-10,17,19,26H/t17-,19+/m1/s1InChIKey
XZQXLMOGBXORHQ-MJGOQNOKSA-NSynonyms
4((3aS6aS)46dioxo3(quinolin2ylcarbonyl)3a466atetrahydropyrrolo(34c)pyrazol5(1H)yl)benzonitrile
4((3aS6aS)46dioxo3(quinoline2carbonyl)3a466atetrahydropyrrolo(34c)pyrazol5(1H)yl)benzonitrile
4((3aS6aS)46dioxo3(quinoline2carbonyl)3a6adihydro1Hpyrrolo(34c)pyrazol5yl)benzonitrile
C1=CC=C2C(=C1)C=CC(=N2)C(=O)C3=NNC4C3C(=O)N(C4=O)C5=CC=C(C=C5)C#N
InChI=1SC22H13N5O3c2311125814(9612)2721(29)1718(252619(17)22(27)30)20(28)1610713312415(13)2416h110171926Ht1719+m1s1
MFCD18241592
N#Cc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C(=NN2)C(=O)c1ccc2c(n1)cccc2
ZINC000018202958
ZINC18202958
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