Vitas-M small molecule compound
(2E)-1-[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Catalog ID
STL537438
SMILES CCOc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1cc(OC)c(c(c1)OC)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 C29H37NO6 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO6/c1-5-36-23-12-7-6-10-21(23)27-22-11-8-9-15-29(22,32)16-17-30(27)26(31)14-13-20-18-24(33-2)28(35-4)25(19-20)34-3/h6-7,10,12-14,18-19,22,27,32H,5,8-9,11,15-17H2,1-4H3/b14-13+InChIKey
HBFIYIAJGVUIPX-BUHFOSPRSA-NSynonyms
(~(E))1(1(2ethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(345trimethoxyphenyl)prop2en1one
(2E)1(1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(345trimethoxyphenyl)prop2en1one
(E)1((1R)1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(345trimethoxyphenyl)prop2en1one
5900948
CCOc1ccccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1cc(OC)c(c(c1)OC)OC
InChI=1SC29H37NO6c15362312761021(23)272211891529(2232)161730(27)26(31)1413201824(332)28(354)25(1920)343h671012141819222732H589111517H214H3b1413+
MFCD04146971
ZINC000002108042
ZINC000037243578
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