Vitas-M small molecule compound
(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxy-3-methoxybenzoate
Catalog ID
STL566009
SMILES COc1cc(ccc1O)C(=O)O[C@H]1CC(=CC[C@@]2([C@@H]1[C@@](O)(CC2)C(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 C23H32O5 MW 388.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32O5/c1-14(2)23(26)11-10-22(4)9-8-15(3)12-19(20(22)23)28-21(25)16-6-7-17(24)18(13-16)27-5/h6-8,13-14,19-20,24,26H,9-12H2,1-5H3/t19-,20+,22-,23+/m0/s1InChIKey
YEQVRBJRNFLOQJ-PABCKOPISA-NSynonyms
54526-95-3((3R3aS4S8aR)3hydroxy68adimethyl3propan2yl123a458hexahydroazulen4yl)4hydroxy3methoxybenzoate
(3R3aS4S8aR)3hydroxy3isopropyl68adimethyl1233a4588aoctahydroazulen4yl4hydroxy3methoxybenzoate
(3R3aS4S8aR)3hydroxy68adimethyl3(propan2yl)1233a4588aoctahydroazulen4yl4hydroxy3methoxybenzoate
10271607
54526953
COc1cc(ccc1O)C(=O)O(C@H)1CC(=CC(C@@)2((C@@H)1(C@@)(O)(CC2)C(C)C)C)C
InChI=1SC23H32O5c114(2)23(26)111022(4)9815(3)1219(20(22)23)2821(25)166717(24)18(1316)275h68131419202426H912H215H3t1920+2223+m0s1
MFCD32651802
TEFERIN
ZINC000004073725
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