Vitas-M small molecule compound
2-[(4-butylphenyl)amino]-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187799
SMILES CCCCc1ccc(cc1)NC(=O)COC(=O)C1COc2c(O1)cccc2
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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 C21H23NO5 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5/c1-2-3-6-15-9-11-16(12-10-15)22-20(23)14-26-21(24)19-13-25-17-7-4-5-8-18(17)27-19/h4-5,7-12,19H,2-3,6,13-14H2,1H3,(H,22,23)InChIKey
SZHBKKDYVNPFCY-UHFFFAOYSA-NSynonyms
(2(4butylanilino)2oxoethyl)23dihydro14benzodioxine3carboxylate
2((4butylphenyl)amino)2oxoethyl23dihydro14benzodioxine2carboxylate
CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2
InChI=1SC21H23NO5c12361591116(121015)2220(23)142621(24)19132517745818(17)2719h4571219H2361314H21H3(H2223)
MFCD05318196
ZINC000008282161
ZINC000008282162
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