Vitas-M small molecule compound
3-benzyl-5-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,7-dimethyl-2H-chromen-2-one
Catalog ID
STL461117
SMILES Cc1cc(OCC(=O)N2CCC3(C(C2)CCCC3)O)c2c(c1)oc(=O)c(c2C)Cc1ccccc1
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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-19-14-24(34-18-26(31)30-13-12-29(33)11-7-6-10-22(29)17-30)27-20(2)23(28(32)35-25(27)15-19)16-21-8-4-3-5-9-21/h3-5,8-9,14-15,22,33H,6-7,10-13,16-18H2,1-2H3InChIKey
SMAMWJVHQXCGFW-UHFFFAOYSA-NSynonyms
3benzyl5(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)47dimethyl2Hchromen2one
5(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)3benzyl47dimethylchromen2one
CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC29H33NO5c1191424(341826(31)30131229(33)11761022(29)1730)2720(2)23(28(32)3525(27)1519)16218435921h358914152233H6710131618H212H3
MFCD10040782
ZINC000002112060
ZINC000011866963
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