Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-3-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]propanoic acid
Catalog ID
STK685809
SMILES OC(=O)CC(c1ccc2c(c1)OCO2)NC(=O)C12CC3CC(C2)CC(C1)C3
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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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c23-19(24)7-16(15-1-2-17-18(6-15)27-11-26-17)22-20(25)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6,12-14,16H,3-5,7-11H2,(H,22,25)(H,23,24)InChIKey
MTEFYRXGWHCCIX-UHFFFAOYSA-NSynonyms
3((1ADAMANTYLCARBONYL)AMINO)3(13BENZODIOXOL5YL)PROPANOICACID
3(13benzodioxol5yl)3((tricyclo(3311~37~)dec1ylcarbonyl)amino)propanoicacid
3(ADAMANTANE1CARBONYLAMINO)3(13BENZODIOXOL5YL)PROPANOICACID
C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)O)C4=CC5=C(C=C4)OCO5
InChI=1SC21H25NO5c2319(24)716(15121718(615)27112617)2220(25)21812313(921)514(412)1021h126121416H35711H2(H2225)(H2324)
MFCD06013450
PROPIONICACID3((ADAMANTANE1CARBONYL)AMINO)3(BENZO(13)DIOXOL5YL)
ZINC000004717960
ZINC000004717961
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