Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl 4-methylbenzoate
Catalog ID
STL091893
SMILES O=C(COC(=O)c1ccc(cc1)C)NCc1ccc2c(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/c1-12-2-5-14(6-3-12)18(21)22-10-17(20)19-9-13-4-7-15-16(8-13)24-11-23-15/h2-8H,9-11H2,1H3,(H,19,20)InChIKey
QGKVPWFUQAMCPZ-UHFFFAOYSA-NSynonyms
(2(13BENZODIOXOL5YLMETHYLAMINO)2OXOETHYL)4METHYLBENZOATE
2((13benzodioxol5ylmethyl)amino)2oxoethyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3
InChI=1SC18H17NO5c1122514(6312)18(21)221017(20)19913471516(813)24112315h28H911H21H3(H1920)
MFCD05280237
ZINC000003388375
ZINC3388375
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