Vitas-M small molecule compound
(3aS,6aS)-5-benzyl-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Catalog ID
STL525448
SMILES O=C(C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1)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 C22H16N4O3 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O3/c27-20(16-11-10-14-8-4-5-9-15(14)23-16)18-17-19(25-24-18)22(29)26(21(17)28)12-13-6-2-1-3-7-13/h1-11,17,19,25H,12H2/t17-,19+/m1/s1InChIKey
COHLXBNZIMZKHL-MJGOQNOKSA-NSynonyms
956339-79-0(3~(a)~(S)6~(a)~(S))5benzyl3(quinoline2carbonyl)3~(a)6~(a)dihydro1~(H)pyrrolo(34c)pyrazole46dione
(3aS6aS)5benzyl3(quinolin2ylcarbonyl)3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
(3aS6aS)5benzyl3(quinoline2carbonyl)16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
(3AS6AS)5BENZYL3(QUINOLINE2CARBONYL)3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE46DIONE
7076616
956339790
InChI=1SC22H16N4O3c2720(16111014845915(14)2316)181719(252418)22(29)26(21(17)28)12136213713h111171925H12H2t1719+m1s1
MFCD01082341
O=C(C1=NN(C@H)2(C@@H)1C(=O)N(C2=O)Cc1ccccc1)c1ccc2c(n1)cccc2
ZINC000017783162
ZINC17783162
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