Vitas-M small molecule compound

3-benzyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-4,7-dimethyl-2H-chromen-2-one

Catalog ID
STL461118
SMILES Cc1cc(OC(C(=O)N2CCC3(C(C2)CCCC3)O)C)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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-19-15-25(35-21(3)28(32)31-14-13-30(34)12-8-7-11-23(30)18-31)27-20(2)24(29(33)36-26(27)16-19)17-22-9-5-4-6-10-22/h4-6,9-10,15-16,21,23,34H,7-8,11-14,17-18H2,1-3H3
InChIKey
CPVKNKCKVVLCRB-UHFFFAOYSA-N
Synonyms

3benzyl5((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)47dimethyl2Hchromen2one
5(1(4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)oxy3benzyl47dimethylchromen2one
CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(C)C(=O)N4CCC5(CCCCC5C4)O
InChI=1SC30H35NO5c1191525(3521(3)28(32)31141330(34)12871123(30)1831)2720(2)24(29(33)3626(27)1619)172295461022h469101516212334H7811141718H213H3
MFCD10040783
ZINC000002111424
ZINC000238882181

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Available files

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