Vitas-M small molecule compound
(3aS,6aS)-5-(2-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Catalog ID
STL524938
SMILES COc1ccccc1N1C(=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 C22H16N4O4 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O4/c1-30-16-9-5-4-8-15(16)26-21(28)17-18(24-25-19(17)22(26)29)20(27)14-11-10-12-6-2-3-7-13(12)23-14/h2-11,17,19,25H,1H3/t17-,19+/m1/s1InChIKey
XHPDLJLDTWRXJI-MJGOQNOKSA-NSynonyms
1212316-82-9(3~(a)~(S)6~(a)~(S))5(2methoxyphenyl)3(quinoline2carbonyl)3~(a)6~(a)dihydro1~(H)pyrrolo(34c)pyrazole46dione
(3aS6aS)5(2methoxyphenyl)3(quinolin2ylcarbonyl)3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
(3aS6aS)5(2methoxyphenyl)3(quinoline2carbonyl)16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
(3AS6AS)5(2METHOXYPHENYL)3(QUINOLINE2CARBONYL)3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE46DIONE
1212316829
7074826
COc1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C(=NN2)C(=O)c1ccc2c(n1)cccc2
InChI=1SC22H16N4O4c13016954815(16)2621(28)1718(242519(17)22(26)29)20(27)14111012623713(12)2314h211171925H1H3t1719+m1s1
MFCD01083832
ZINC000017835620
ZINC17835620
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