Vitas-M small molecule compound

N-[2-{[4-(dimethylamino)phenyl]amino}-2-oxo-1-(thiophen-2-yl)ethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide

Catalog ID
STL438828
SMILES Cc1nc(SCC(=O)N(C(c2cccs2)C(=O)Nc2ccc(cc2)N(C)C)Cc2ccccc2C)nc(c1)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 C30H33N5O2S2 MW 559.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O2S2/c1-20-9-6-7-10-23(20)18-35(27(36)19-39-30-31-21(2)17-22(3)32-30)28(26-11-8-16-38-26)29(37)33-24-12-14-25(15-13-24)34(4)5/h6-17,28H,18-19H2,1-5H3,(H,33,37)
InChIKey
XTTYQYRQMLXFME-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1CN(C(C2=CC=CS2)C(=O)NC3=CC=C(C=C3)N(C)C)C(=O)CSC4=NC(=CC(=N4)C)C
InChI=1SC30H33N5O2S2c1209671023(20)1835(27(36)1939303121(2)1722(3)3230)28(26118163826)29(37)3324121425(151324)34(4)5h61728H1819H215H3(H3337)
MFCD06239640
N(2((4(dimethylamino)phenyl)amino)2oxo1(thiophen2yl)ethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(2methylbenzyl)acetamide
N(4(dimethylamino)phenyl)2((2(46dimethylpyrimidin2yl)sulfanylacetyl)((2methylphenyl)methyl)amino)2thiophen2ylacetamide
N(4(DIMETHYLAMINO)PHENYL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2METHYLBENZYL)ACETAMIDO)2(THIOPHEN2YL)ACETAMIDE
N(4DIMETHYLAMINOPHENYL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)2THIOPHEN2YLACETAMIDE
ZINC000001412471
ZINC000001412472
ZINC01412472

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Available files

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