Vitas-M small molecule compound

methyl 2-{[(2E)-3-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoate

Catalog ID
STK522819
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)/C=C(/C(=O)Nc1ccccc1C(=O)OC)\C#N

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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 C27H23ClN2O5 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O5/c1-3-34-25-15-18(12-13-24(25)35-17-19-8-4-6-10-22(19)28)14-20(16-29)26(31)30-23-11-7-5-9-21(23)27(32)33-2/h4-15H,3,17H2,1-2H3,(H,30,31)/b20-14+
InChIKey
PSIHFUMLLWXROT-XSFVSMFZSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)OCC3=CC=CC=C3Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C=C(C(=O)Nc1ccccc1C(=O)OC)C#N
InChI=1SC27H23ClN2O5c1334251518(121324(25)3517198461022(19)28)1420(1629)26(31)30231175921(23)27(32)332h415H317H212H3(H3031)b2014+
methyl2(((2E)3(4((2chlorobenzyl)oxy)3ethoxyphenyl)2cyanoprop2enoyl)amino)benzoate
METHYL2(((E)3(4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
MFCD03155140
ZINC000003232203
ZINC03232203
ZINC3232203

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Available files

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