Vitas-M small molecule compound
methyl 5-[(1E)-1-cyanoprop-1-en-2-yl]-2-{[(6,7-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK910727
SMILES N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)C)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 C23H20N2O5S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5S/c1-11(6-7-24)20-14(4)19(23(28)29-5)22(31-20)25-21(27)18-10-16(26)15-8-12(2)13(3)9-17(15)30-18/h6,8-10H,1-5H3,(H,25,27)/b11-6+InChIKey
YQTFNTHFXHWHHD-IZZDOVSWSA-NSynonyms
CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=C(C(=C(S3)C(=CC#N)C)C)C(=O)OC)C
InChI=1SC23H20N2O5Sc111(6724)2014(4)19(23(28)295)22(3120)2521(27)181016(26)15812(2)13(3)917(15)3018h6810H15H3(H2527)b116+
methyl5((1E)1cyanoprop1en2yl)2(((67dimethyl4oxo4Hchromen2yl)carbonyl)amino)4methylthiophene3carboxylate
methyl5((E)1cyanoprop1en2yl)2((67dimethyl4oxochromene2carbonyl)amino)4methylthiophene3carboxylate
MFCD07425652
N#CC=C(c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)C)C)C
ZINC000008869513
ZINC08869513
ZINC8869513
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