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2-(3-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK192703
SMILES Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br

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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 C33H29BrN4O3S2 MW 673.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29BrN4O3S2/c1-18-8-12-23(13-9-18)35-30(40)28-25-6-4-5-7-27(25)43-32(28)37-19(2)16-21(20(37)3)17-26-29(39)36-33(42)38(31(26)41)24-14-10-22(34)11-15-24/h8-17H,4-7H2,1-3H3,(H,35,40)(H,36,39,42)/b26-17-
InChIKey
WHEJDCGKPUCPIU-ONUIUJJFSA-N
Synonyms

2(3((Z)(1(4bromophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)N(4methylphenyl)4567tetrahydro1benzothiophene3carboxamide
2(3((Z)(1(4bromophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)N(4methylphenyl)4567tetrahydro1benzothiophene3carboxamide
CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N4C(=CC(=C4C)C=C5C(=O)NC(=S)N(C5=O)C6=CC=C(C=C6)Br)C
Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br
InChI=1SC33H29BrN4O3S2c11881223(13918)3530(40)2825645727(25)4332(28)3719(2)1621(20(37)3)172629(39)3633(42)38(31(26)41)24141022(34)111524h817H47H213H3(H3540)(H363942)b2617
MFCD04552502
ZINC000033353952
ZINC33353952

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Available files

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