Vitas-M small molecule compound
7-{2-[(6R,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-2-oxoethoxy}-5-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
Catalog ID
STL548279
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)COc1cc(O)c2c(c1)OC(CC2=O)(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 C28H36N2O5 MW 480.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O5/c1-28(2)14-23(32)26-22(31)12-20(13-24(26)35-28)34-16-25(33)30-9-5-6-17-10-18-11-19(27(17)30)15-29-8-4-3-7-21(18)29/h10,12-13,18-19,21,27,31H,3-9,11,14-16H2,1-2H3/t18-,19+,21+,27+/m0/s1InChIKey
IBBOWHCQFLNGOV-CIVIXNTOSA-NSynonyms
7(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethoxy)5hydroxy22dimethylchroman4one
7(2((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethoxy)5hydroxy22dimethyl23dihydro4Hchromen4one
InChI=1SC28H36N2O5c128(2)1423(32)2622(31)1220(1324(26)3528)341625(33)309561710181119(27(17)30)1529843721(18)29h1012131819212731H39111416H212H3t1819+21+27+m0s1
O=C(N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)COc1cc(O)c2c(c1)OC(CC2=O)(C)C
ZINC000253404971
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