Vitas-M small molecule compound
methyl (3-{(E)-[1-(2,3-dichlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
Catalog ID
STK613625
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)c1cccc(c1Cl)Cl)O
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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 C22H15Cl2N3O5 MW 472.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15Cl2N3O5/c1-32-18(28)11-26-10-12(13-5-2-3-7-16(13)26)9-14-20(29)25-22(31)27(21(14)30)17-8-4-6-15(23)19(17)24/h2-10H,11H2,1H3,(H,25,29,31)/b14-9+InChIKey
BTSQXFOZHSVEGV-NTEUORMPSA-NSynonyms
6236-38-06236380
COC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=C(C(=CC=C4)Cl)Cl
COC(=O)Cn1cc(c2c1cccc2)C=C1C(=NC(=O)N(C1=O)c1cccc(c1Cl)Cl)O
InChI=1SC22H15Cl2N3O5c13218(28)11261012(13523716(13)26)91420(29)2522(31)27(21(14)30)1784615(23)19(17)24h210H11H21H3(H252931)b149+
methyl(3((E)(1(23dichlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)acetate
METHYL2(3((E)(1(23DICHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD08735601
ZINC000015769791
ZINC15769791
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