Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(4-methylbenzyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl 2-chlorobenzoate
Catalog ID
STK473356
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1Cl)/C=C(/C(=O)NCc1ccc(cc1)C)\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 C27H23ClN2O4 MW 474.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O4/c1-3-33-25-15-20(12-13-24(25)34-27(32)22-6-4-5-7-23(22)28)14-21(16-29)26(31)30-17-19-10-8-18(2)9-11-19/h4-15H,3,17H2,1-2H3,(H,30,31)/b21-14+InChIKey
HZNCGPKICLLUGZ-KGENOOAVSA-NSynonyms
(4((E)2cyano3((4methylphenyl)methylamino)3oxoprop1enyl)2ethoxyphenyl)2chlorobenzoate
4((1E)2cyano3((4methylbenzyl)amino)3oxoprop1en1yl)2ethoxyphenyl2chlorobenzoate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3Cl
CCOc1cc(ccc1OC(=O)c1ccccc1Cl)C=C(C(=O)NCc1ccc(cc1)C)C#N
InChI=1SC27H23ClN2O4c1333251520(121324(25)3427(32)22645723(22)28)1421(1629)26(31)30171910818(2)91119h415H317H212H3(H3031)b2114+
MFCD07077085
ZINC000020175872
ZINC20175872
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