Vitas-M small molecule compound
7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(3,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK358572
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1c(C2c2cc(OC)c(c(c2)OC)OC)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 C27H29N3O7 MW 507.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O7/c1-33-18-7-6-13(10-19(18)34-2)14-8-16-23(17(31)9-14)22(24-26(28-16)29-30-27(24)32)15-11-20(35-3)25(37-5)21(12-15)36-4/h6-7,10-12,14,22H,8-9H2,1-5H3,(H3,28,29,30,32)InChIKey
RUQLXGKTFSDLHI-UHFFFAOYSA-NSynonyms
7(34dimethoxyphenyl)3hydroxy4(345trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
7(34dimethoxyphenyl)4(345trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1c(C2c2cc(OC)c(c(c2)OC)OC)c(n(nH)1)O
InChI=1SC27H29N3O7c133187613(1019(18)342)1481623(17(31)914)22(2426(2816)293027(24)32)151120(353)25(375)21(1215)364h6710121422H89H215H3(H328293032)
MFCD11852104
ZINC000020085982
ZINC000020085988
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