Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-[2-(2-{[(2-ethoxy-2-oxoethyl)amino]methyl}furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL528044
SMILES CCOC(=O)CNCc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC
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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 C26H39NO5 MW 445.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39NO5/c1-6-31-23(28)17-27-16-21-19(12-15-32-21)9-10-20-18(2)8-11-22-25(20,3)13-7-14-26(22,4)24(29)30-5/h12,15,20,22,27H,2,6-11,13-14,16-17H2,1,3-5H3/t20-,22?,25+,26-/m0/s1InChIKey
TXNXNEYQTWNEIP-DSUSRFKMSA-NSynonyms
956993-40-1(1S4aR5S)methyl5(2(2(((2ethoxy2oxoethyl)amino)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
16398509
956993401
CCOC(=O)CNCc1occc1CC(C@H)1C(=C)CCC2(C@)1(C)CCC(C@)2(C)C(=O)OC
InChI=1SC26H39NO5c163123(28)1727162119(12153221)9102018(2)8112225(203)1371426(224)24(29)305h1215202227H261113141617H2135H3t2022?25+26m0s1
methyl(1~(S)4~(a)~(R)5~(S))5(2(2(((2ethoxy2oxoethyl)amino)methyl)furan3yl)ethyl)14~(a)dimethyl6methylidene345788~(a)hexahydro2~(H)naphthalene1carboxylate
methyl(1S4aR5S)5(2(2(((2ethoxy2oxoethyl)amino)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD02925653
ZINC000059415055
ZINC000059415056
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