Vitas-M small molecule compound
2-(4-methyl-5-{(3E,5E)-6-[4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl}tetrahydro-2H-pyran-2-yl)propanoic acid
Catalog ID
STK023149
SMILES CC/C(=C\C=C\C1C=CC2C(C1C(=O)c1ccc[nH]1)CCC2)/C1COC(CC1C)C(C(=O)O)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 C29H39NO4 MW 465.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO4/c1-4-20(24-17-34-26(16-18(24)2)19(3)29(32)33)8-5-10-22-14-13-21-9-6-11-23(21)27(22)28(31)25-12-7-15-30-25/h5,7-8,10,12-15,18-19,21-24,26-27,30H,4,6,9,11,16-17H2,1-3H3,(H,32,33)/b10-5+,20-8+InChIKey
PFAGZEWYROFOAJ-RVLOVFQDSA-NSynonyms
2(4METHYL5((3E5E)6(4(1HPYRROL2YLCARBONYL)233A457AHEXAHYDRO1HINDEN5YL)HEXA35DIEN3YL)TETRAHYDRO2HPYRAN2YL)PROPANOICACID
2(4METHYL5((3E5E)6(4(1HPYRROLE2CARBONYL)233A457AHEXAHYDRO1HINDEN5YL)HEXA35DIEN3YL)OXAN2YL)PROPANOICACID
CCC(=CC=CC1C=CC2C(C1C(=O)c1ccc(nH)1)CCC2)C1COC(CC1C)C(C(=O)O)C
CCC(=CC=CC1C=CC2CCCC2C1C(=O)C3=CC=CN3)C4COC(CC4C)C(C)C(=O)O
InChI=1SC29H39NO4c1420(24173426(1618(24)2)19(3)29(32)33)851022141321961123(21)27(22)28(31)25127153025h57810121518192124262730H469111617H213H3(H3233)b105+208+
MFCD03259234
STK023149
ZINC000009762247
ZINC000245253775
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.