Vitas-M small molecule compound
ethyl (3-{(E)-[1-(4-chlorophenyl)-3-ethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
Catalog ID
STK198014
SMILES CCOC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N(CC)C(=S)N(C1=O)c1ccc(cc1)Cl
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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 C25H22ClN3O4S MW 495.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O4S/c1-3-28-23(31)20(24(32)29(25(28)34)18-11-9-17(26)10-12-18)13-16-14-27(15-22(30)33-4-2)21-8-6-5-7-19(16)21/h5-14H,3-4,15H2,1-2H3/b20-13+InChIKey
XKEMFCAFGBIENZ-DEDYPNTBSA-NSynonyms
CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)OCC)C(=O)N(C1=S)C4=CC=C(C=C4)Cl
CCOC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)N(CC)C(=S)N(C1=O)c1ccc(cc1)Cl
ETHYL(3((1(4CHLOROPHENYL)3ETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETATE
ETHYL(3((E)(1(4CHLOROPHENYL)3ETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETATE
ETHYL2(3((E)(1(4CHLOROPHENYL)3ETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
InChI=1SC25H22ClN3O4Sc132823(31)20(24(32)29(25(28)34)1811917(26)101218)13161427(1522(30)3342)21865719(16)21h514H3415H212H3b2013+
MFCD03696735
ZINC000008395954
ZINC08395954
ZINC8395954
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.