Vitas-M small molecule compound
methyl 3-[(1S,2S,3S)-2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoate
Catalog ID
STL564321
SMILES COC(=O)CC[C@H]1C(=C(C)C)CC[C@@H]([C@]1(C)COc1ccc2c(c1)oc(=O)cc2)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 C25H32O5 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O5/c1-16(2)20-10-6-17(3)25(4,21(20)11-13-23(26)28-5)15-29-19-9-7-18-8-12-24(27)30-22(18)14-19/h7-9,12,14,17,21H,6,10-11,13,15H2,1-5H3/t17-,21-,25-/m0/s1InChIKey
LWKZASDDSMSRFV-ADSMNUKGSA-NSynonyms
53696-76-753696767
7075765
COC(=O)CC(C@H)1C(=C(C)C)CC(C@@H)((C@)1(C)COc1ccc2c(c1)oc(=O)cc2)C
InChI=1SC25H32O5c116(2)2010617(3)25(421(20)111323(26)285)152919971881224(27)3022(18)1419h7912141721H610111315H215H3t172125m0s1
methyl3((1S2S3S)23dimethyl2(((2oxo2Hchromen7yl)oxy)methyl)6(propan2ylidene)cyclohexyl)propanoate
methyl3((1S2S3S)23dimethyl2((2oxochromen7yl)oxymethyl)6propan2ylidenecyclohexyl)propanoate
METHYLGALBANATE
MFCD32651434
ZINC000004025386
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