Vitas-M small molecule compound

2-(3-{(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

Catalog ID
STK170394
SMILES O=C(Cn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)Nc1ccccc1

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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 C28H20N4O6 MW 508.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O6/c33-25(29-18-6-2-1-3-7-18)15-31-14-17(20-8-4-5-9-22(20)31)12-21-26(34)30-28(36)32(27(21)35)19-10-11-23-24(13-19)38-16-37-23/h1-14H,15-16H2,(H,29,33)(H,30,34,36)/b21-12-
InChIKey
SILCIYAAUKQBQS-MTJSOVHGSA-N
Synonyms

(Z)2(3((1(benzo(d)(13)dioxol5yl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)Nphenylacetamide
2(3((Z)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)NPHENYLACETAMIDE
2(3((Z)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)NPHENYLACETAMIDE
2(3((Z)(1(13BENZODIOXOL5YL)4HYDROXY26DIOXO16DIHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)NPHENYLACETAMIDE
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CN(C5=CC=CC=C54)CC(=O)NC6=CC=CC=C6)C(=O)NC3=O
InChI=1SC28H20N4O6c3325(29186213718)15311417(20845922(20)31)122126(34)3028(36)32(27(21)35)1910112324(1319)38163723h114H1516H2(H2933)(H303436)b2112
MFCD02634556
O=C(Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)Nc1ccccc1
ZINC13785729

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Available files

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