Vitas-M small molecule compound
methyl (3-{(E)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
Catalog ID
STK175260
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)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 C23H18ClN3O5 MW 451.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O5/c1-13-7-8-15(10-18(13)24)27-22(30)17(21(29)25-23(27)31)9-14-11-26(12-20(28)32-2)19-6-4-3-5-16(14)19/h3-11H,12H2,1-2H3,(H,25,29,31)/b17-9+InChIKey
YXJTWAQSDLMDRK-RQZCQDPDSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)OC)C(=O)NC2=O)Cl
COC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C
InChI=1SC23H18ClN3O5c1137815(1018(13)24)2722(30)17(21(29)2523(27)31)9141126(1220(28)322)19643516(14)19h311H12H212H3(H252931)b179+
METHYL(3((E)(1(3CHLORO4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETATE
METHYL2(3((E)(1(3CHLORO4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD04595057
ZINC000001161179
ZINC01161179
ZINC1161179
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