Vitas-M small molecule compound

methyl 2-[({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}acetyl)amino]benzoate

Catalog ID
STL187368
SMILES COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(c(c1)OC)OC

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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 C21H21NO7 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO7/c1-26-17-10-8-14(12-18(17)27-2)9-11-20(24)29-13-19(23)22-16-7-5-4-6-15(16)21(25)28-3/h4-12H,13H2,1-3H3,(H,22,23)/b11-9+
InChIKey
RFRUJSRINOIMKJ-PKNBQFBNSA-N
Synonyms

COC(=O)c1ccccc1NC(=O)COC(=O)C=Cc1ccc(c(c1)OC)OC
COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)OC
InChI=1SC21H21NO7c1261710814(1218(17)272)91120(24)291319(23)2216754615(16)21(25)283h412H13H213H3(H2223)b119+
methyl2(((((2E)3(34dimethoxyphenyl)prop2enoyl)oxy)acetyl)amino)benzoate
METHYL2((2((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)OXYACETYL)AMINO)BENZOATE
MFCD05279816
ZINC000003378122
ZINC3378122

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.