Vitas-M small molecule compound

N-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]carbamothioyl}-3,4,5-triethoxybenzamide

Catalog ID
STK386090
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1cccc(c1)N1C(=O)c2c(C1=O)cccc2

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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 C28H27N3O6S MW 533.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6S/c1-4-35-22-14-17(15-23(36-5-2)24(22)37-6-3)25(32)30-28(38)29-18-10-9-11-19(16-18)31-26(33)20-12-7-8-13-21(20)27(31)34/h7-16H,4-6H2,1-3H3,(H2,29,30,32,38)
InChIKey
PDQNLAYEMVUXST-UHFFFAOYSA-N
Synonyms

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI=1SC28H27N3O6Sc1435221417(1523(3652)24(22)3763)25(32)3028(38)29181091119(1618)3126(33)2012781321(20)27(31)34h716H46H213H3(H229303238)
MFCD03836996
N(((3(13DIOXOBENZO(C)AZOLIN2YL)PHENYL)AMINO)THIOXOMETHYL)(345TRIETHOXYPHENYL)CARBOXAMIDE
N((3(13DIOXO13DIHYDRO2HISOINDOL2YL)PHENYL)CARBAMOTHIOYL)345TRIETHOXYBENZAMIDE
N((3(13DIOXOISOINDOL2YL)PHENYL)CARBAMOTHIOYL)345TRIETHOXYBENZAMIDE
ZINC000004122884
ZINC4122884

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Available files

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