Vitas-M small molecule compound
(2E)-1-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Catalog ID
STL533385
SMILES COc1ccc(cc1OC)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(cc1)C(C)C
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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 C29H37NO4 MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO4/c1-20(2)22-11-8-21(9-12-22)10-15-27(31)30-18-17-29(32)16-6-5-7-24(29)28(30)23-13-14-25(33-3)26(19-23)34-4/h8-15,19-20,24,28,32H,5-7,16-18H2,1-4H3/b15-10+InChIKey
QJLPXAZWQNVILW-XNTDXEJSSA-NSynonyms
(2E)1(1(34dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4(propan2yl)phenyl)prop2en1one
(E)1((1R)1(34dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4isopropylphenyl)prop2en1one
COc1ccc(cc1OC)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc(cc1)C(C)C
MFCD04142232
ZINC000002152806
ZINC001614467132
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