Vitas-M small molecule compound
methyl 2-{[(1Z)-3-(butylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoate
Catalog ID
STK715972
SMILES CCCCNC(=O)/C(=C\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 C16H19N3O3 MW 301.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O3/c1-3-4-9-18-15(20)12(10-17)11-19-14-8-6-5-7-13(14)16(21)22-2/h5-8,11,19H,3-4,9H2,1-2H3,(H,18,20)/b12-11-InChIKey
DXBNPTLDNFLHBW-QXMHVHEDSA-NSynonyms
(E)methyl2((3(butylamino)2cyano3oxoprop1en1yl)amino)benzoate
CCCCNC(=O)C(=CNC1=CC=CC=C1C(=O)OC)C#N
CCCCNC(=O)C(=CNc1ccccc1C(=O)OC)C#N
InChI=1SC16H19N3O3c13491815(20)12(1017)111914865713(14)16(21)222h581119H349H212H3(H1820)b1211
methyl2(((1Z)3(butylamino)2cyano3oxoprop1en1yl)amino)benzoate
methyl2(((Z)3(butylamino)2cyano3oxoprop1enyl)amino)benzoate
MFCD08166865
ZINC000102673260
ZINC102673260
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