Vitas-M small molecule compound
(4R,7S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-7-(3,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK335315
SMILES COc1ccc(c(c1)[C@H]1C2=C(C[C@@H](CC2=O)c2cc(OC)c(c(c2)OC)OC)Nc2c1c(O)n[nH]2)OC
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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/c1-33-15-6-7-19(34-2)16(12-15)22-23-17(28-26-24(22)27(32)30-29-26)8-13(9-18(23)31)14-10-20(35-3)25(37-5)21(11-14)36-4/h6-7,10-13,22H,8-9H2,1-5H3,(H3,28,29,30,32)/t13-,22-/m0/s1InChIKey
JWALDSUVJPBPKN-XMHCIUCPSA-NSynonyms
(4R7S)4(25dimethoxyphenyl)3hydroxy7(345trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(25dimethoxyphenyl)7(345trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=C(C=C1)OC)C2C3=C(CC(CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)NC5=C2C(=O)NN5
COc1ccc(c(c1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cc(OC)c(c(c2)OC)OC)Nc2c1c(O)n(nH)2)OC
InChI=1SC27H29N3O7c133156719(342)16(1215)222317(282624(22)27(32)302926)813(918(23)31)141020(353)25(375)21(1114)364h67101322H89H215H3(H328293032)t1322m0s1
MFCD13368811
ZINC000018198616
ZINC18198616
Check stock
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Check stock on Vitas-MAvailable files
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