Vitas-M small molecule compound
3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Catalog ID
STL461107
SMILES CCC(C(=O)N1CCC2(C(C1)CCCC2)O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1
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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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-2-22(24(28)27-14-13-26(30)12-6-5-7-17(26)16-27)31-18-10-11-20-19-8-3-4-9-21(19)25(29)32-23(20)15-18/h10-11,15,17,22,30H,2-9,12-14,16H2,1H3InChIKey
MICDTNYKBXNWCV-UHFFFAOYSA-NSynonyms
3((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxobutan2yl)oxy)78910tetrahydro6Hbenzo(c)chromen6one
3(1(4ahydroxy13456788aoctahydroisoquinolin2yl)1oxobutan2yl)oxy78910tetrahydrobenzo(c)chromen6one
CCC(C(=O)N1CCC2(CCCCC2C1)O)OC3=CC4=C(C=C3)C5=C(CCCC5)C(=O)O4
InChI=1SC26H33NO5c1222(24(28)27141326(30)1265717(26)1627)311810112019834921(19)25(29)3223(20)1518h101115172230H29121416H21H3
MFCD10040772
ZINC000002109990
ZINC000238901731
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