Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(2,4,5-trimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK335316
SMILES COc1cc(OC)c(cc1[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 C28H31N3O8 MW 537.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O8/c1-34-18-12-20(36-3)19(35-2)11-15(18)23-24-16(29-27-25(23)28(33)31-30-27)7-13(8-17(24)32)14-9-21(37-4)26(39-6)22(10-14)38-5/h9-13,23H,7-8H2,1-6H3,(H3,29,30,31,33)/t13-,23-/m0/s1InChIKey
GAHOIOOVYOTWFD-NPMABZOXSA-NSynonyms
(4R7S)3hydroxy4(245trimethoxyphenyl)7(345trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(245trimethoxyphenyl)7(345trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC(=C(C=C5OC)OC)OC)C(=O)C2
COc1cc(OC)c(cc1(C@H)1C2=C(C(C@@H)(CC2=O)c2cc(OC)c(c(c2)OC)OC)Nc2c1c(O)n(nH)2)OC
InChI=1SC28H31N3O8c134181220(363)19(352)1115(18)232416(292725(23)28(33)313027)713(817(24)32)14921(374)26(396)22(1014)385h91323H78H216H3(H329303133)t1323m0s1
MFCD13368812
ZINC000102052841
ZINC102052841
Check stock
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