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}-4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
Catalog ID
STL535288
SMILES CC(=C)COc1ccc2c(c1C)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 C32H40N2O4 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O4/c1-19(2)18-37-28-11-10-25-20(3)26(32(36)38-31(25)21(28)4)16-29(35)34-13-7-8-22-14-23-15-24(30(22)34)17-33-12-6-5-9-27(23)33/h10-11,14,23-24,27,30H,1,5-9,12-13,15-18H2,2-4H3/t23-,24+,27+,30+/m0/s1InChIKey
IPIOTAVIZLPDBG-IYAVOVPUSA-NSynonyms
3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)48dimethyl7((2methylallyl)oxy)2Hchromen2one
3(2((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)48dimethyl7((2methylprop2en1yl)oxy)2Hchromen2one
CC(=C)COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC32H40N2O4c119(2)18372811102520(3)26(32(36)3831(25)21(28)4)1629(35)3413782214231524(30(22)34)17331265927(23)33h10111423242730H15912131518H224H3t2324+27+30+m0s1
MFCD09796958
ZINC000100789067
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