Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK479387
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)NCc1ccc2c(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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c20-17(15-11-2-4-12(5-3-11)16(15)18(21)22)19-8-10-1-6-13-14(7-10)24-9-23-13/h1,6-7,11-12,15-16H,2-5,8-9H2,(H,19,20)(H,21,22)InChIKey
WXFWUMJWNDKQPQ-UHFFFAOYSA-NSynonyms
2(13BENZODIOXOL5YLMETHYLCARBAMOYL)BICYCLO(222)OCTANE3CARBOXYLICACID
3((13benzodioxol5ylmethyl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(2HBENZO(34D)13DIOXOLEN5YLMETHYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4
InChI=1SC18H21NO5c2017(15112412(5311)16(15)18(21)22)19810161314(710)2492313h16711121516H2589H2(H1920)(H2122)
MFCD06065686
ZINC000006728590
ZINC000006728596
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