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2-(3-{(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-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
STK170234
SMILES Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2

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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 C34H30N4O6S MW 622.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N4O6S/c1-18-8-10-22(11-9-18)35-31(40)29-24-6-4-5-7-28(24)45-33(29)37-19(2)14-21(20(37)3)15-25-30(39)36-34(42)38(32(25)41)23-12-13-26-27(16-23)44-17-43-26/h8-16H,4-7,17H2,1-3H3,(H,35,40)(H,36,39,42)/b25-15-
InChIKey
SQWJWPRKTHZYHU-MYYYXRDXSA-N
Synonyms

2(3((Z)(1(13benzodioxol5yl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)N(4methylphenyl)4567tetrahydro1benzothiophene3carboxamide
2(3((Z)(1(13benzodioxol5yl)246trioxotetrahydropyrimidin5(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(=O)N(C5=O)C6=CC7=C(C=C6)OCO7)C
Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC34H30N4O6Sc11881022(11918)3531(40)2924645728(24)4533(29)3719(2)1421(20(37)3)152530(39)3634(42)38(32(25)41)2312132627(1623)44174326h816H4717H213H3(H3540)(H363942)b2515
MFCD04351651
ZINC000097960514
ZINC97960514

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Available files

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