Vitas-M small molecule compound
methyl (1S)-5-[2-(2-{[(2-ethoxy-2-oxoethyl)(methyl)amino]methyl}furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL002757
SMILES CCOC(=O)CN(Cc1occc1CCC1C(=C)CCC2C1(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 C27H41NO5 MW 459.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO5/c1-7-32-24(29)18-28(5)17-22-20(13-16-33-22)10-11-21-19(2)9-12-23-26(21,3)14-8-15-27(23,4)25(30)31-6/h13,16,21,23H,2,7-12,14-15,17-18H2,1,3-6H3/t21?,23?,26?,27-/m0/s1InChIKey
ZWANHAMRZWYVDW-OMTNCMGPSA-NSynonyms
1212431-39-4(1S)methyl5(2(2(((2ethoxy2oxoethyl)(methyl)amino)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
1212431394
CCOC(=O)CN(C)CC1=C(C=CO1)CCC2C(=C)CCC3C2(CCCC3(C)C(=O)OC)C
CCOC(=O)CN(Cc1occc1CCC1C(=C)CCC2C1(C)CCC(C@)2(C)C(=O)OC)C
InChI=1SC27H41NO5c173224(29)1828(5)172220(13163322)10112119(2)9122326(213)1481527(234)25(30)316h13162123H271214151718H2136H3t21?23?26?27m0s1
METHYL(1S)5(2(2(((2ETHOXY2OXOETHYL)(METHYL)AMINO)METHYL)FURAN3YL)ETHYL)14ADIMETHYL6METHYLIDENEDECAHYDRONAPHTHALENE1CARBOXYLATE
methyl(1S)5(2(2(((2ethoxy2oxoethyl)methylamino)methyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
MFCD18247109
ZINC000012861366
ZINC000035361938
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