Vitas-M small molecule compound
3-{2-[(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-oxoethyl}-7,8-dihydroxy-4-methyl-2H-chromen-2-one
Catalog ID
STL536627
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Cc1c(=O)oc2c(c1C)ccc(c2O)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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-15-19-7-8-22(30)25(32)26(19)34-27(33)20(15)13-23(31)29-10-4-5-16-11-17-12-18(24(16)29)14-28-9-3-2-6-21(17)28/h7-8,11,17-18,21,24,30,32H,2-6,9-10,12-14H2,1H3/t17-,18+,21+,24+/m0/s1InChIKey
RIUHVCNJKHMQAL-KUIWHINRSA-NSynonyms
3(2((6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)78dihydroxy4methyl2Hchromen2one
3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)78dihydroxy4methyl2Hchromen2one
InChI=1SC27H32N2O5c115197822(30)25(32)26(19)3427(33)20(15)1323(31)2910451611171218(24(16)29)1428932621(17)28h7811171821243032H269101214H21H3t1718+21+24+m0s1
MFCD09843030
O=C(N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)Cc1c(=O)oc2c(c1C)ccc(c2O)O
ZINC000105384350
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