Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-(2-{2-[(tert-butylamino)methyl]furan-3-yl}ethyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL526226
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC(C)(C)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 C26H41NO3 MW 415.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H41NO3/c1-18-9-12-22-25(5,14-8-15-26(22,6)23(28)29-7)20(18)11-10-19-13-16-30-21(19)17-27-24(2,3)4/h13,16,20,22,27H,1,8-12,14-15,17H2,2-7H3/t20-,22?,25+,26-/m0/s1InChIKey
ADSXFPHNMCPJSW-DSUSRFKMSA-NSynonyms
(1S4aR5S)methyl5(2(2((tertbutylamino)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylatehydrochloride
16397262
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CNC(C)(C)C)CCl
InChI=1SC26H41NO3c1189122225(51481526(226)23(28)297)20(18)11101913163021(19)172724(23)4h1316202227H1812141517H227H3t2022?25+26m0s1
methyl(1~(S)4~(a)~(R)5~(S))5(2(2((~(tert)butylamino)methyl)furan3yl)ethyl)14~(a)dimethyl6methylidene345788~(a)hexahydro2~(H)naphthalene1carboxylate
methyl(1S4aR5S)5(2(2((tertbutylamino)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD02925537
ZINC000004028947
ZINC000004028948
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