Vitas-M small molecule compound
(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(pyridin-3-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334721
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2cccnc2)c(n[nH]1)O
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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 C23H22N4O4 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4/c1-30-17-6-5-12(10-18(17)31-2)14-8-15-20(16(28)9-14)19(13-4-3-7-24-11-13)21-22(25-15)26-27-23(21)29/h3-7,10-11,14,19H,8-9H2,1-2H3,(H3,25,26,27,29)/t14-,19-/m0/s1InChIKey
XXTNZODYTMDHIT-LIRRHRJNSA-NSynonyms
(4R7S)7(34dimethoxyphenyl)3hydroxy4(pyridin3yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4pyridin3yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CN=CC=C5)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2cccnc2)c(n(nH)1)O
InChI=1SC23H22N4O4c130176512(1018(17)312)1481520(16(28)914)19(13437241113)2122(2515)262723(21)29h3710111419H89H212H3(H325262729)t1419m0s1
MFCD13368733
ZINC000018197297
ZINC18197297
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