Vitas-M small molecule compound
2-[(2,3-dimethylphenyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STL061767
SMILES O=C(Nc1cccc(c1C)C)COC(=O)c1ccc2c(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 C18H17NO5 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5/c1-11-4-3-5-14(12(11)2)19-17(20)9-22-18(21)13-6-7-15-16(8-13)24-10-23-15/h3-8H,9-10H2,1-2H3,(H,19,20)InChIKey
IFUSDIWKDHTNGB-UHFFFAOYSA-NSynonyms
(2(23DIMETHYLANILINO)2OXOETHYL)13BENZODIOXOLE5CARBOXYLATE
2((23dimethylphenyl)amino)2oxoethyl13benzodioxole5carboxylate
CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C
InChI=1SC18H17NO5c11143514(12(11)2)1917(20)92218(21)13671516(813)24102315h38H910H212H3(H1920)
MFCD02717531
ZINC000001288086
ZINC01288086
ZINC1288086
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