Vitas-M small molecule compound
methyl 2-{[(6-chloro-4-oxo-4H-chromen-2-yl)carbonyl]amino}-5-[(1E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate
Catalog ID
STK910770
SMILES N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(=O)c2c(o1)ccc(c2)Cl)\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 C21H15ClN2O5S MW 442.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O5S/c1-10(6-7-23)18-11(2)17(21(27)28-3)20(30-18)24-19(26)16-9-14(25)13-8-12(22)4-5-15(13)29-16/h4-6,8-9H,1-3H3,(H,24,26)/b10-6+InChIKey
JSRRZHGHHFOFIF-UXBLZVDNSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C(=CC#N)C
InChI=1SC21H15ClN2O5Sc110(6723)1811(2)17(21(27)283)20(3018)2419(26)16914(25)13812(22)4515(13)2916h4689H13H3(H2426)b106+
methyl2(((6chloro4oxo4Hchromen2yl)carbonyl)amino)5((1E)1cyanoprop1en2yl)4methylthiophene3carboxylate
methyl2((6chloro4oxochromene2carbonyl)amino)5((E)1cyanoprop1en2yl)4methylthiophene3carboxylate
MFCD07425676
N#CC=C(c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(=O)c2c(o1)ccc(c2)Cl)C
ZINC000008869579
ZINC08869579
ZINC8869579
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