Vitas-M small molecule compound
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(3-methylbenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL461197
SMILES Cc1cccc(c1)COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)N1CCC2(C(C1)CCCC2)O
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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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-19-7-6-8-22(15-19)18-35-26-11-10-24-20(2)25(29(33)36-28(24)21(26)3)16-27(32)31-14-13-30(34)12-5-4-9-23(30)17-31/h6-8,10-11,15,23,34H,4-5,9,12-14,16-18H2,1-3H3InChIKey
RVWOLKFNRGFPNX-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)48dimethyl7((3methylphenyl)methoxy)chromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl7((3methylbenzyl)oxy)2Hchromen2one
CC1=CC(=CC=C1)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)N4CCC5(CCCCC5C4)O)C)C
InChI=1SC30H35NO5c11976822(1519)18352611102420(2)25(29(33)3628(24)21(26)3)1627(32)31141330(34)1254923(30)1731h681011152334H45912141618H213H3
MFCD10040855
ZINC000002108570
ZINC000011867171
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