Vitas-M small molecule compound
2-[(4-methylphenyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STL061783
SMILES O=C(Nc1ccc(cc1)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 C17H15NO5 MW 313.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO5/c1-11-2-5-13(6-3-11)18-16(19)9-21-17(20)12-4-7-14-15(8-12)23-10-22-14/h2-8H,9-10H2,1H3,(H,18,19)InChIKey
LVMDJLMDNLMWGD-UHFFFAOYSA-NSynonyms
386260-72-6(2(4METHYLANILINO)2OXOETHYL)13BENZODIOXOLE5CARBOXYLATE
2((4methylphenyl)amino)2oxoethyl13benzodioxole5carboxylate
386260726
CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3
InChI=1SC17H15NO5c1112513(6311)1816(19)92117(20)12471415(812)23102214h28H910H21H3(H1819)
MFCD05281641
ZINC000003437054
ZINC03437054
ZINC3437054
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