Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl 4-cyanobenzoate
Catalog ID
STL099876
SMILES N#Cc1ccc(cc1)C(=O)OCC(=O)Nc1ccc2c(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 C17H12N2O5 MW 324.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O5/c18-8-11-1-3-12(4-2-11)17(21)22-9-16(20)19-13-5-6-14-15(7-13)24-10-23-14/h1-7H,9-10H2,(H,19,20)InChIKey
FXHWWGMEEOLOHD-UHFFFAOYSA-NSynonyms
386280-43-9(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)4CYANOBENZOATE
2(13benzodioxol5ylamino)2oxoethyl4cyanobenzoate
386280439
C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N
InChI=1SC17H12N2O5c188111312(4211)17(21)22916(20)1913561415(713)24102314h17H910H2(H1920)
MFCD05282035
ZINC000003474554
ZINC03474554
ZINC3474554
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