Vitas-M small molecule compound

ethyl 4-{[3-(3,4-dimethoxyphenyl)-2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}acryloyl]amino}benzoate

Catalog ID
STK706400
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(c(c1)OC)OC)/C(=O)Nc1ccc(cc1)C(=O)OCC

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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 C30H30N2O8 MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O8/c1-5-39-29(35)20-8-12-22(13-9-20)31-27(33)24(17-19-7-16-25(37-3)26(18-19)38-4)28(34)32-23-14-10-21(11-15-23)30(36)40-6-2/h7-18H,5-6H2,1-4H3,(H,31,33)(H,32,34)
InChIKey
SHQSCJJXLVFJAC-UHFFFAOYSA-N
Synonyms
372506-57-5
372506575
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC)OC)C(=O)NC3=CC=C(C=C3)C(=O)OCC
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(c(c1)OC)OC)C(=O)Nc1ccc(cc1)C(=O)OCC
diethyl44((2(34dimethoxybenzylidene)malonyl)bis(azanediyl))dibenzoate
ethyl4((3(34dimethoxyphenyl)2((4(ethoxycarbonyl)phenyl)carbamoyl)acryloyl)amino)benzoate
ETHYL4((3(34DIMETHOXYPHENYL)2((4ETHOXYCARBONYLPHENYL)CARBAMOYL)PROP2ENOYL)AMINO)BENZOATE
InChI=1SC30H30N2O8c153929(35)2081222(13920)3127(33)24(171971625(373)26(1819)384)28(34)3223141021(111523)30(36)4062h718H56H214H3(H3133)(H3234)
MFCD01944523
ZINC000097949806
ZINC97949806

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Available files

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