Vitas-M small molecule compound
2-[(4-methylbenzyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STL059651
SMILES O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(cc1)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/c1-12-2-4-13(5-3-12)9-19-17(20)10-22-18(21)14-6-7-15-16(8-14)24-11-23-15/h2-8H,9-11H2,1H3,(H,19,20)InChIKey
NXLCDDYBGSTUMU-UHFFFAOYSA-NSynonyms
733014-09-0(2((4METHYLPHENYL)METHYLAMINO)2OXOETHYL)13BENZODIOXOLE5CARBOXYLATE
2((4methylbenzyl)amino)2oxoethyl13benzodioxole5carboxylate
733014090
CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(C=C2)OCO3
InChI=1SC18H17NO5c1122413(5312)91917(20)102218(21)14671516(814)24112315h28H911H21H3(H1920)
MFCD03978205
ZINC000003315633
ZINC03315633
ZINC3315633
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