Vitas-M small molecule compound
(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334429
SMILES COc1ccc(cc1)[C@H]1C2=C(C[C@@H](CC2=O)c2ccc(c(c2)OC)OC)Nc2c1c(O)n[nH]2
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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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-31-16-7-4-13(5-8-16)21-22-17(26-24-23(21)25(30)28-27-24)10-15(11-18(22)29)14-6-9-19(32-2)20(12-14)33-3/h4-9,12,15,21H,10-11H2,1-3H3,(H3,26,27,28,30)/t15-,21-/m0/s1InChIKey
GIVWWENJDNVJDX-BTYIYWSLSA-NSynonyms
(4R7S)7(34dimethoxyphenyl)3hydroxy4(4methoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(4methoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=C2C(=O)NN5
COc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2ccc(c(c2)OC)OC)Nc2c1c(O)n(nH)2
InChI=1SC25H25N3O5c131167413(5816)212217(262423(21)25(30)282724)1015(1118(22)29)146919(322)20(1214)333h49121521H1011H213H3(H326272830)t1521m0s1
MFCD13368714
ZINC000018197103
ZINC18197103
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