Vitas-M small molecule compound
2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide
Catalog ID
STL539088
SMILES COc1cc(ccc1OC)c1cc2ccc(cc2oc1=O)OCC(=O)NC[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 C29H34N2O6 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O6/c1-34-25-11-9-19(15-27(25)35-2)23-14-20-8-10-22(16-26(20)37-29(23)33)36-18-28(32)30-17-21-6-5-13-31-12-4-3-7-24(21)31/h8-11,14-16,21,24H,3-7,12-13,17-18H2,1-2H3,(H,30,32)/t21-,24+/m0/s1InChIKey
TUDBWEVHOGMPQP-XUZZJYLKSA-NSynonyms
1441881-29-3~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(3(34dimethoxyphenyl)2oxochromen7yl)oxyacetamide
1441881293
2((3(34dimethoxyphenyl)2oxo2Hchromen7yl)oxy)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)acetamide
2((3(34dimethoxyphenyl)2oxo2Hchromen7yl)oxy)N((1S9aR)octahydro2Hquinolizin1ylmethyl)acetamide
71753828
COc1cc(ccc1OC)c1cc2ccc(cc2oc1=O)OCC(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC29H34N2O6c1342511919(1527(25)352)23142081022(1626(20)3729(23)33)361828(32)3017216513311243724(21)31h81114162124H3712131718H212H3(H3032)t2124+m0s1
ZINC000079189594
ZINC79189594
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