Vitas-M small molecule compound
(2E)-3-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxyphenyl}-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Catalog ID
STK991255
SMILES COc1cc(/C=C/C(=O)N2CC[C@@]3([C@H](C2)CCCC3)O)ccc1OCc1c(Cl)cccc1Cl
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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 C26H29Cl2NO4 MW 490.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29Cl2NO4/c1-32-24-15-18(8-10-23(24)33-17-20-21(27)6-4-7-22(20)28)9-11-25(30)29-14-13-26(31)12-3-2-5-19(26)16-29/h4,6-11,15,19,31H,2-3,5,12-14,16-17H2,1H3/b11-9+/t19-,26-/m0/s1InChIKey
VATUKPQJUNZBET-SIMBLGBZSA-NSynonyms
(2E)3(4((26dichlorobenzyl)oxy)3methoxyphenyl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(E)1((4aS8aS)4ahydroxy13456788aoctahydroisoquinolin2yl)3(4((26dichlorophenyl)methoxy)3methoxyphenyl)prop2en1one
(E)3(4((26dichlorobenzyl)oxy)3methoxyphenyl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
COC1=C(C=CC(=C1)C=CC(=O)N2CCC3(CCCCC3C2)O)OCC4=C(C=CC=C4Cl)Cl
COc1cc(C=CC(=O)N2CC(C@@)3((C@H)(C2)CCCC3)O)ccc1OCc1c(Cl)cccc1Cl
COc1cc(C=CC(=O)N2CCC3(C(C2)CCCC3)O)ccc1OCc1c(Cl)cccc1Cl
InChI=1SC26H29Cl2NO4c132241518(81023(24)33172021(27)64722(20)28)91125(30)29141326(31)1232519(26)1629h4611151931H23512141617H21H3b119+t1926m0s1
MFCD18247074
ZINC000008871251
ZINC08871251
ZINC8871251
Check stock
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Check stock on Vitas-MAvailable files
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