Vitas-M small molecule compound

2-(3-{(E)-[1-(4-ethoxyphenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK560579
SMILES CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O)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 C28H26N4O4S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S/c1-4-36-20-11-9-19(10-12-20)32-26(34)22(25(33)30-28(32)35)14-18-13-16(2)31(17(18)3)27-23(15-29)21-7-5-6-8-24(21)37-27/h9-14H,4-8H2,1-3H3,(H,30,33,35)/b22-14+
InChIKey
IHRIAZBXICZFIH-HYARGMPZSA-N
Synonyms

2(3((E)(1(4ethoxyphenyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((E)(1(4ethoxyphenyl)2hydroxy46dioxo16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CCOc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)C1=O)O
InChI=1SC28H26N4O4Sc14362011919(101220)3226(34)22(25(33)3028(32)35)14181316(2)31(17(18)3)2723(1529)21756824(21)3727h914H48H213H3(H303335)b2214+
MFCD03819247
ZINC000002295717

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Available files

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