Vitas-M small molecule compound
methyl (6R)-6-[(acetyloxy)methyl]-5-[2-(2-formylfuran-3-yl)ethyl]-1,4a-dimethyldecahydronaphthalene-1-carboxylate
Catalog ID
STL563026
SMILES COC(=O)C1(C)CCCC2(C1CC[C@H](C2CCc1ccoc1C=O)COC(=O)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 C24H34O6 MW 418.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34O6/c1-16(26)30-15-18-7-9-21-23(2,11-5-12-24(21,3)22(27)28-4)19(18)8-6-17-10-13-29-20(17)14-25/h10,13-14,18-19,21H,5-9,11-12,15H2,1-4H3/t18-,19?,21?,23?,24?/m0/s1InChIKey
ZHHSQWXVDIXZCB-ILGJQFLZSA-NSynonyms
(1S4aR5S6R)methyl6(acetoxymethyl)5(2(2formylfuran3yl)ethyl)14adimethyldecahydronaphthalene1carboxylate
145705479
COC(=O)(C@@)1(C)CCC(C@)2(C1CC(C@H)((C@@H)2CCc1ccoc1C=O)COC(=O)C)C
InChI=1SC24H34O6c116(26)301518792123(21151224(213)22(27)284)19(18)861710132920(17)1425h101314181921H59111215H214H3t1819?21?23?24?m0s1
methyl(6R)6((acetyloxy)methyl)5(2(2formylfuran3yl)ethyl)14adimethyldecahydronaphthalene1carboxylate
methyl(6R)6(acetyloxymethyl)5(2(2formylfuran3yl)ethyl)14adimethyl23456788aoctahydronaphthalene1carboxylate
MFCD32651384
ZINC000004073404
ZINC000033681875
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