Vitas-M small molecule compound
methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-[2-(2-{[methyl(phenylcarbonyl)amino]methyl}furan-3-yl)ethyl]decahydronaphthalene-1-carboxylate
Catalog ID
STL562669
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CN(C(=O)c1ccccc1)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 C30H39NO4 MW 477.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39NO4/c1-21-12-15-26-29(2,17-9-18-30(26,3)28(33)34-5)24(21)14-13-22-16-19-35-25(22)20-31(4)27(32)23-10-7-6-8-11-23/h6-8,10-11,16,19,24,26H,1,9,12-15,17-18,20H2,2-5H3/t24-,26?,29+,30-/m0/s1InChIKey
MZBVEIDYCNWRKM-VNRSTCIESA-NSynonyms
957045-78-2(1S4aR5S)methyl14adimethyl5(2(2((Nmethylbenzamido)methyl)furan3yl)ethyl)6methylenedecahydronaphthalene1carboxylate
16397849
957045782
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CN(C(=O)c1ccccc1)C)C
InChI=1SC30H39NO4c12112152629(21791830(263)28(33)345)24(21)14132216193525(22)2031(4)27(32)23107681123h68101116192426H191215171820H225H3t2426?29+30m0s1
methyl(1S4aR5S)14adimethyl6methylidene5(2(2((methyl(phenylcarbonyl)amino)methyl)furan3yl)ethyl)decahydronaphthalene1carboxylate
methyl(1S4aR5S)5(2(2((benzoyl(methyl)amino)methyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
MFCD32651328
ZINC000012661267
ZINC000012661268
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