Vitas-M small molecule compound
methyl 3-[(1S,2S,6S)-1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate
Catalog ID
STL564320
SMILES COC(=O)CC[C@]1(C)[C@@H](COc2ccc3c(c2)oc(=O)cc3)C(=CC[C@H]1C(=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 C25H30O5 MW 410.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30O5/c1-16(2)20-10-6-17(3)21(25(20,4)13-12-23(26)28-5)15-29-19-9-7-18-8-11-24(27)30-22(18)14-19/h6-9,11,14,20-21H,1,10,12-13,15H2,2-5H3/t20-,21-,25-/m0/s1InChIKey
OAUDKNYNNMXLHJ-WATLYSKOSA-NSynonyms
11873103
COC(=O)CC(C@)1(C)(C@@H)(COc2ccc3c(c2)oc(=O)cc3)C(=CC(C@H)1C(=C)C)C
InChI=1SC25H30O5c116(2)2010617(3)21(25(204)131223(26)285)152919971881124(27)3022(18)1419h6911142021H110121315H225H3t202125m0s1
methyl3((1S2S6S)13dimethyl2(((2oxo2Hchromen7yl)oxy)methyl)6(prop1en2yl)cyclohex3en1yl)propanoate
methyl3((1S2S6S)13dimethyl2((2oxochromen7yl)oxymethyl)6prop1en2ylcyclohex3en1yl)propanoate
MFCD32651433
ZINC000004027197
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