Vitas-M small molecule compound
(4R,7S)-4-(4-ethoxyphenyl)-3-hydroxy-7-(3,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK335271
SMILES CCOc1ccc(cc1)[C@H]1C2=C(C[C@@H](CC2=O)c2cc(OC)c(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 C27H29N3O6 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O6/c1-5-36-17-8-6-14(7-9-17)22-23-18(28-26-24(22)27(32)30-29-26)10-15(11-19(23)31)16-12-20(33-2)25(35-4)21(13-16)34-3/h6-9,12-13,15,22H,5,10-11H2,1-4H3,(H3,28,29,30,32)/t15-,22-/m0/s1InChIKey
HBFGMZWKBZYJPI-NYHFZMIOSA-NSynonyms
(4R7S)4(4ethoxyphenyl)3hydroxy7(345trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4ethoxyphenyl)7(345trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)NC5=C2C(=O)NN5
CCOc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cc(OC)c(c(c2)OC)OC)Nc2c1c(O)n(nH)2
InChI=1SC27H29N3O6c1536178614(7917)222318(282624(22)27(32)302926)1015(1119(23)31)161220(332)25(354)21(1316)343h6912131522H51011H214H3(H328293032)t1522m0s1
MFCD13368786
ZINC000018198561
ZINC18198561
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