Vitas-M small molecule compound

N-(2-{[2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl]sulfanyl}phenyl)acetamide

Catalog ID
STL383122
SMILES CC(=O)Nc1ccccc1Sc1ccc2c3c1cccc3c(=O)n(c2=O)c1ccc(c(c1)C)C

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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 C28H22N2O3S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O3S/c1-16-11-12-19(15-17(16)2)30-27(32)21-8-6-7-20-24(14-13-22(26(20)21)28(30)33)34-25-10-5-4-9-23(25)29-18(3)31/h4-15H,1-3H3,(H,29,31)
InChIKey
CPOJYGRWQRVUFW-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)SC5=CC=CC=C5NC(=O)C)C=CC=C4C2=O)C
InChI=1SC28H22N2O3Sc116111219(1517(16)2)3027(32)218672024(141322(26(20)21)28(30)33)34251054923(25)2918(3)31h415H13H3(H2931)
MFCD00659911
N(2((2(34dimethylphenyl)13dioxo23dihydro1Hbenzo(de)isoquinolin6yl)sulfanyl)phenyl)acetamide
N(2(2(34DIMETHYLPHENYL)13DIOXOBENZO(DE)ISOQUINOLIN6YL)SULFANYLPHENYL)ACETAMIDE
ZINC000003044889
ZINC03044889
ZINC3044889

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Available files

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