Vitas-M small molecule compound

3-benzyl-6-chloro-7-hydroxy-8-({(3-methoxypropyl)[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}methyl)-4-methyl-2H-chromen-2-one

Catalog ID
STL579148
SMILES COCCCN(Cc1c(O)c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1)C[C@@H]1CCCN2[C@@H]1CCCC2

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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 C32H41ClN2O4 MW 553.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41ClN2O4/c1-22-25-19-28(33)30(36)27(31(25)39-32(37)26(22)18-23-10-4-3-5-11-23)21-34(14-9-17-38-2)20-24-12-8-16-35-15-7-6-13-29(24)35/h3-5,10-11,19,24,29,36H,6-9,12-18,20-21H2,1-2H3/t24-,29+/m0/s1
InChIKey
UWDWHQIBJYUYBQ-PWUYWRBVSA-N
Synonyms

3benzyl6chloro7hydroxy8(((3methoxypropyl)(((1S9aR)octahydro1Hquinolizin1yl)methyl)amino)methyl)4methyl2Hchromen2one
3benzyl6chloro7hydroxy8(((3methoxypropyl)((1S9aR)octahydro2Hquinolizin1ylmethyl)amino)methyl)4methyl2Hchromen2one
COCCCN(Cc1c(O)c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1)C(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC32H41ClN2O4c122251928(33)30(36)27(31(25)3932(37)26(22)1823104351123)2134(14917382)2024128163515761329(24)35h35101119242936H6912182021H212H3t2429+m0s1
MFCD33397506

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Available files

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