Vitas-M small molecule compound

2-(3-{(Z)-[1-(4-bromo-2-methylphenyl)-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
STK192744
SMILES Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1C)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 C34H31BrN4O3S2 MW 687.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31BrN4O3S2/c1-18-9-12-24(13-10-18)36-31(41)29-25-7-5-6-8-28(25)44-33(29)38-20(3)16-22(21(38)4)17-26-30(40)37-34(43)39(32(26)42)27-14-11-23(35)15-19(27)2/h9-17H,5-8H2,1-4H3,(H,36,41)(H,37,40,43)/b26-17-
InChIKey
NJHUXNZXWFTXDA-ONUIUJJFSA-N
Synonyms

2(3((Z)(1(4bromo2methylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)N(4methylphenyl)4567tetrahydro1benzothiophene3carboxamide
2(3((Z)(1(4bromo2methylphenyl)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=C(C=C(C=C6)Br)C)C
Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)Br
InChI=1SC34H31BrN4O3S2c11891224(131018)3631(41)2925756828(25)4433(29)3820(3)1622(21(38)4)172630(40)3734(43)39(32(26)42)27141123(35)1519(27)2h917H58H214H3(H3641)(H374043)b2617
MFCD03226564
ZINC000097960902
ZINC97960902

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Available files

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