Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,11-dimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one
Catalog ID
STL537050
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
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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 C29H35NO5 MW 477.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO5/c1-17-20(10-11-25(31)30-14-13-29(33)12-6-5-7-19(29)16-30)28(32)35-26-18(2)27-23(15-22(17)26)21-8-3-4-9-24(21)34-27/h15,19,33H,3-14,16H2,1-2H3InChIKey
VWQSOZYFABNBCR-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)411dimethyl6789tetrahydro(1)benzofuro(32g)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)411dimethyl6789tetrahydro2H(1)benzofuro(32g)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)411dimethyl6789tetrahydro2Hbenzofuro(32g)chromen2one
4640805
InChI=1SC29H35NO5c11720(101125(31)30141329(33)1265719(29)1630)28(32)352618(2)2723(1522(17)26)21834924(21)3427h151933H31416H212H3
MFCD31754490
ZINC000002109224
ZINC000015954269
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