Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yloxy)-3-({2-[4-(2-methylpropyl)phenyl]propanoyl}amino)benzoate
Catalog ID
STK666497
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)C(c1ccc(cc1)CC(C)C)C)Oc1ccc2c(c1)OCO2
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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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-5-33-29(32)22-10-12-25(36-23-11-13-26-27(16-23)35-17-34-26)24(15-22)30-28(31)19(4)21-8-6-20(7-9-21)14-18(2)3/h6-13,15-16,18-19H,5,14,17H2,1-4H3,(H,30,31)InChIKey
XKOUHPFRUFNXLL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCO3)NC(=O)C(C)C4=CC=C(C=C4)CC(C)C
ethyl4(13benzodioxol5yloxy)3((2(4(2methylpropyl)phenyl)propanoyl)amino)benzoate
ethyl4(13benzodioxol5yloxy)3(2(4(2methylpropyl)phenyl)propanoylamino)benzoate
InChI=1SC29H31NO6c153329(32)22101225(362311132627(1623)35173426)24(1522)3028(31)19(4)218620(7921)1418(2)3h61315161819H51417H214H3(H3031)
MFCD09064374
ZINC000012410904
ZINC000012410907
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