Vitas-M small molecule compound
(4R,7S)-4-[4-(benzyloxy)phenyl]-7-(3,4-dimethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334438
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(cc2)OCc2ccccc2)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 C31H29N3O5 MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O5/c1-37-25-13-10-20(16-26(25)38-2)21-14-23-28(24(35)15-21)27(29-30(32-23)33-34-31(29)36)19-8-11-22(12-9-19)39-17-18-6-4-3-5-7-18/h3-13,16,21,27H,14-15,17H2,1-2H3,(H3,32,33,34,36)/t21-,27-/m0/s1InChIKey
IBZGEZMQPPGJEM-IDISGSTGSA-NSynonyms
(4R7S)4(4(benzyloxy)phenyl)7(34dimethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(4phenylmethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(cc2)OCc2ccccc2)c(n(nH)1)O
InChI=1SC31H29N3O5c13725131020(1626(25)382)21142328(24(35)1521)27(2930(3223)333431(29)36)1981122(12919)3917186435718h313162127H141517H212H3(H332333436)t2127m0s1
MFCD13368722
ZINC000098036910
ZINC98036910
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