Vitas-M small molecule compound

2,2'-(3,3'-dimethylbiphenyl-4,4'-diyl)bis[1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide]

Catalog ID
STK662641
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1C)c1ccc(c(c1)C)N1C(=O)c2c(C1=O)cc(cc2)C(=O)Nc1nccs1)Nc1nccs1

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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 C38H24N6O6S2 MW 724.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H24N6O6S2/c1-19-15-21(5-9-29(19)43-33(47)25-7-3-23(17-27(25)35(43)49)31(45)41-37-39-11-13-51-37)22-6-10-30(20(2)16-22)44-34(48)26-8-4-24(18-28(26)36(44)50)32(46)42-38-40-12-14-52-38/h3-18H,1-2H3,(H,39,41,45)(H,40,42,46)
InChIKey
RMQMSJOZNPHFMP-UHFFFAOYSA-N
Synonyms

2(4(4(13DIOXO5(13THIAZOL2YLCARBAMOYL)ISOINDOL2YL)3METHYLPHENYL)2METHYLPHENYL)13DIOXON(13THIAZOL2YL)ISOINDOLE5CARBOXAMIDE
22(33dimethylbiphenyl44diyl)bis(13dioxoN(13thiazol2yl)23dihydro1Hisoindole5carboxamide)
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=NC=CS5)C)N6C(=O)C7=C(C6=O)C=C(C=C7)C(=O)NC8=NC=CS8
InChI=1SC38H24N6O6S2c1191521(5929(19)4333(47)257323(1727(25)35(43)49)31(45)41373911135137)2261030(20(2)1622)4434(48)268424(1828(26)36(44)50)32(46)42384012145238h318H12H3(H394145)(H404246)
MFCD00779623
ZINC000098002590
ZINC98002590

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.