Vitas-M small molecule compound
methyl 2-{[(E)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}benzoate
Catalog ID
STK535486
SMILES N#C/C(=C\Nc1ccccc1C(=O)OC)/c1scc(n1)c1ccc(cc1)CC(C)C
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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 C24H23N3O2S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O2S/c1-16(2)12-17-8-10-18(11-9-17)22-15-30-23(27-22)19(13-25)14-26-21-7-5-4-6-20(21)24(28)29-3/h4-11,14-16,26H,12H2,1-3H3/b19-14+InChIKey
DFXKQVIQMUSXSO-XMHGGMMESA-NSynonyms
(E)methyl2((2cyano2(4(4isobutylphenyl)thiazol2yl)vinyl)amino)benzoate
CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC=CC=C3C(=O)OC)C#N
InChI=1SC24H23N3O2Sc116(2)121781018(11917)22153023(2722)19(1325)142621754620(21)24(28)293h411141626H12H213H3b1914+
methyl2(((E)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)amino)benzoate
MFCD02984915
N#CC(=CNc1ccccc1C(=O)OC)c1scc(n1)c1ccc(cc1)CC(C)C
ZINC000001240498
ZINC01240498
ZINC1240498
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