Vitas-M small molecule compound
1-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Catalog ID
STL461110
SMILES Cc1cc(OCC(=O)N2CCC3(C(C2)CCCC3)O)c2c(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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-16-12-20(23-18-7-2-3-8-19(18)24(28)31-21(23)13-16)30-15-22(27)26-11-10-25(29)9-5-4-6-17(25)14-26/h12-13,17,29H,2-11,14-15H2,1H3InChIKey
SCAYQZCNHCNDIC-UHFFFAOYSA-NSynonyms
1(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)3methyl78910tetrahydrobenzo(c)chromen6one
1(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)3methyl78910tetrahydro6Hbenzo(c)chromen6one
CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC25H31NO5c1161220(2318723819(18)24(28)3121(23)1316)301522(27)26111025(29)954617(25)1426h12131729H2111415H21H3
MFCD10040775
ZINC000002111936
ZINC000011866952
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