Vitas-M small molecule compound
4-ethyl-7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-2H-chromen-2-one
Catalog ID
STL461113
SMILES CCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N1CCC2(C(C1)CCCC2)O)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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-3-16-12-21(25)29-20-13-18(7-8-19(16)20)28-15(2)22(26)24-11-10-23(27)9-5-4-6-17(23)14-24/h7-8,12-13,15,17,27H,3-6,9-11,14H2,1-2H3InChIKey
AKACSWKBUFCDQN-UHFFFAOYSA-NSynonyms
4ethyl7((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)2Hchromen2one
7(1(4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)oxy4ethylchromen2one
CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N3CCC4(CCCCC4C3)O
InChI=1SC23H29NO5c13161221(25)29201318(7819(16)20)2815(2)22(26)24111023(27)954617(23)1424h781213151727H3691114H212H3
MFCD10040778
ZINC000002108949
ZINC000238881512
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