Vitas-M small molecule compound
3-{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-oxoethyl}-7-hydroxy-4-methyl-2H-chromen-2-one
Catalog ID
STL537429
SMILES Oc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C27H32N2O4 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O4/c1-16-21-8-7-20(30)13-24(21)33-27(32)22(16)14-25(31)29-10-4-5-17-11-18-12-19(26(17)29)15-28-9-3-2-6-23(18)28/h7-8,11,13,18-19,23,26,30H,2-6,9-10,12,14-15H2,1H3/t18-,19+,23+,26+/m0/s1InChIKey
CYCFHTMRVZWAHH-VKUUMZLYSA-NSynonyms
3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)7hydroxy4methyl2Hchromen2one
3(2((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)7hydroxy4methyl2Hchromen2one
InChI=1SC27H32N2O4c116218720(30)1324(21)3327(32)22(16)1425(31)2910451711181219(26(17)29)1528932623(18)28h7811131819232630H26910121415H21H3t1819+23+26+m0s1
MFCD08743217
Oc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
ZINC000100788621
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