Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl 3-methylbenzoate
Catalog ID
STL013993
SMILES O=C(NCc1ccc2c(c1)OCO2)COC(=O)c1cccc(c1)C
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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/c1-12-3-2-4-14(7-12)18(21)22-10-17(20)19-9-13-5-6-15-16(8-13)24-11-23-15/h2-8H,9-11H2,1H3,(H,19,20)InChIKey
YAWFEXDXKUSCJY-UHFFFAOYSA-NSynonyms
400036-23-9(2(13BENZODIOXOL5YLMETHYLAMINO)2OXOETHYL)3METHYLBENZOATE
2((13benzodioxol5ylmethyl)amino)2oxoethyl3methylbenzoate
400036239
CC1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3
InChI=1SC18H17NO5c11232414(712)18(21)221017(20)19913561516(813)24112315h28H911H21H3(H1920)
MFCD03979208
ZINC000003317818
ZINC03317818
ZINC3317818
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