Vitas-M small molecule compound

2-[(3-{(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

Catalog ID
STK603765
SMILES N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)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 C28H20N4O3 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O3/c1-18-10-12-22(13-11-18)32-27(34)24(26(33)30-28(32)35)14-21-17-31(25-9-5-4-8-23(21)25)16-20-7-3-2-6-19(20)15-29/h2-14,17H,16H2,1H3,(H,30,33,35)/b24-14-
InChIKey
HVKBIMUHRSMQJI-OYKKKHCWSA-N
Synonyms

2((3((1(4METHYLPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)INDOLYL)METHYL)BENZENECARBONITRILE
2((3((Z)(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
2((3((Z)(4hydroxy1(4methylphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)methyl)benzonitrile
InChI=1SC28H20N4O3c118101222(131118)3227(34)24(26(33)3028(32)35)14211731(25954823(21)25)1620732619(20)1529h21417H16H21H3(H303335)b2414
MFCD08735915
N#Cc1ccccc1Cn1cc(c2c1cccc2)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)O
ZINC000008842849
ZINC08842849
ZINC8842849

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Available files

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