Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-{2-[2-({[(4-methoxyphenyl)carbonyl](methyl)amino}methyl)furan-3-yl]ethyl}-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL562986
SMILES COc1ccc(cc1)C(=O)N(Cc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC)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 C31H41NO5 MW 507.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41NO5/c1-21-8-15-27-30(2,17-7-18-31(27,3)29(34)36-6)25(21)14-11-22-16-19-37-26(22)20-32(4)28(33)23-9-12-24(35-5)13-10-23/h9-10,12-13,16,19,25,27H,1,7-8,11,14-15,17-18,20H2,2-6H3/t25-,27?,30+,31-/m0/s1InChIKey
MOVBUDQPVJFVRW-PFSXMSLYSA-NSynonyms
956955-61-6(1S4aR5S)methyl5(2(2((4methoxyNmethylbenzamido)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
16399801
956955616
COc1ccc(cc1)C(=O)N(Cc1occc1CC(C@H)1C(=C)CCC2(C@)1(C)CCC(C@)2(C)C(=O)OC)C
InChI=1SC31H41NO5c1218152730(21771831(273)29(34)366)25(21)14112216193726(22)2032(4)28(33)2391224(355)131023h910121316192527H178111415171820H226H3t2527?30+31m0s1
methyl(1S4aR5S)5(2(2((((4methoxyphenyl)carbonyl)(methyl)amino)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
methyl(1S4aR5S)5(2(2(((4methoxybenzoyl)methylamino)methyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
MFCD32651381
ZINC000008917901
ZINC000008917902
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