Vitas-M small molecule compound

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

Catalog ID
STK615646
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1Cl)Cl)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 C26H20Cl2N4O3S MW 539.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Cl2N4O3S/c1-13-10-15(14(2)31(13)25-18(12-29)16-6-3-4-9-21(16)36-25)11-17-23(33)30-26(35)32(24(17)34)20-8-5-7-19(27)22(20)28/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,30,33,35)/b17-11-
InChIKey
HQCFSJFCYPRAMQ-BOPFTXTBSA-N
Synonyms

2(3((Z)(1(23dichlorophenyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)(1(23dichlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)NC(=O)N(C4=O)C5=C(C(=CC=C5)Cl)Cl
InChI=1SC26H20Cl2N4O3Sc1131015(14(2)31(13)2518(1229)16634921(16)3625)111723(33)3026(35)32(24(17)34)2085719(27)22(20)28h5781011H3469H212H3(H303335)b1711
MFCD08732972
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=NC(=O)N(C1=O)c1cccc(c1Cl)Cl)O
ZINC000097968487
ZINC97968487

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Available files

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