Vitas-M small molecule compound

N-(2-methoxyethyl)-2-(3-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetamide

Catalog ID
STL371825
SMILES COCCNC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-16-7-9-18(10-8-16)29-24(32)20(23(31)27-25(29)34)13-17-14-28(15-22(30)26-11-12-33-2)21-6-4-3-5-19(17)21/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,30)(H,27,31,34)/b20-13+
InChIKey
HAPSVHMNLUNZFH-DEDYPNTBSA-N
Synonyms

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)NCCOC)C(=O)NC2=S
COCCNC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C
InChI=1SC25H24N4O4Sc1167918(10816)2924(32)20(23(31)2725(29)34)13171428(1522(30)261112332)21643519(17)21h3101314H111215H212H3(H2630)(H273134)b2013+
MFCD02734775
N(2METHOXYETHYL)2(3((1(4METHYLPHENYL)46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)INDOLYL)ACETAMIDE
N(2METHOXYETHYL)2(3((E)(1(4METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETAMIDE
N(2methoxyethyl)2(3((E)(1(4methylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)acetamide
ZINC000006245150
ZINC06245150
ZINC6245150

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.