Vitas-M small molecule compound
methyl 2-{[(1E)-2-cyano-3-[(4-methylphenyl)amino]-1-(methylsulfanyl)-3-oxoprop-1-en-1-yl]amino}benzoate
Catalog ID
STL134863
SMILES CS/C(=C(/C(=O)Nc1ccc(cc1)C)\C#N)/Nc1ccccc1C(=O)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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c1-13-8-10-14(11-9-13)22-18(24)16(12-21)19(27-3)23-17-7-5-4-6-15(17)20(25)26-2/h4-11,23H,1-3H3,(H,22,24)/b19-16+InChIKey
LHMUMOBBWCJXEM-KNTRCKAVSA-NSynonyms
1325550-01-31325550013
CC1=CC=C(C=C1)NC(=O)C(=C(NC2=CC=CC=C2C(=O)OC)SC)C#N
CSC(=C(C(=O)Nc1ccc(cc1)C)C#N)Nc1ccccc1C(=O)OC
InChI=1SC20H19N3O3Sc11381014(11913)2218(24)16(1221)19(273)2317754615(17)20(25)262h41123H13H3(H2224)b1916+
methyl2(((1E)2cyano3((4methylphenyl)amino)1(methylsulfanyl)3oxoprop1en1yl)amino)benzoate
methyl2(((E)2cyano3(4methylanilino)1methylsulfanyl3oxoprop1enyl)amino)benzoate
MFCD19705772
ZINC000067172694
ZINC67172694
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