Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-7-[(pentamethylbenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL461200
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1c(C)c(C)c(c(c1C)C)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 C34H43NO5 MW 545.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43NO5/c1-20-21(2)23(4)30(24(5)22(20)3)19-39-27-10-11-28-25(6)29(33(37)40-31(28)17-27)12-13-32(36)35-16-15-34(38)14-8-7-9-26(34)18-35/h10-11,17,26,38H,7-9,12-16,18-19H2,1-6H3InChIKey
PYXVXNMJAKYMSP-UHFFFAOYSA-NSynonyms
3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)4methyl7((23456pentamethylphenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl7((23456pentamethylbenzyl)oxy)2Hchromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl7((pentamethylbenzyl)oxy)2Hchromen2one
CC1=C(C(=C(C(=C1C)C)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CCC(=O)N4CCC5(CCCCC5C4)O)C)C)C
InChI=1SC34H43NO5c12021(2)23(4)30(24(5)22(20)3)19392710112825(6)29(33(37)4031(28)1727)121332(36)35161534(38)1487926(34)1835h1011172638H7912161819H216H3
MFCD10040858
ZINC000002108880
ZINC000011867179
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