Vitas-M small molecule compound

N,N'-{methanediylbis[2-methyl-6-(propan-2-yl)benzene-4,1-diyl]}bis[2-(pyridin-2-ylsulfanyl)acetamide]

Catalog ID
STK129241
SMILES O=C(Nc1c(C)cc(cc1C(C)C)Cc1cc(C)c(c(c1)C(C)C)NC(=O)CSc1ccccn1)CSc1ccccn1

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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 C35H40N4O2S2 MW 612.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N4O2S2/c1-22(2)28-18-26(15-24(5)34(28)38-30(40)20-42-32-11-7-9-13-36-32)17-27-16-25(6)35(29(19-27)23(3)4)39-31(41)21-43-33-12-8-10-14-37-33/h7-16,18-19,22-23H,17,20-21H2,1-6H3,(H,38,40)(H,39,41)
InChIKey
FCWVRFMPXDYGIP-UHFFFAOYSA-N
Synonyms
405276-57-5
405276575
CC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C(C)C)NC(=O)CSC3=CC=CC=N3)C)C(C)C)NC(=O)CSC4=CC=CC=N4
InChI=1SC35H40N4O2S2c122(2)281826(1524(5)34(28)3830(40)2042321179133632)17271625(6)35(29(1927)23(3)4)3931(41)21433312810143733h71618192223H172021H216H3(H3840)(H3941)
MFCD02008522
N(2METHYL4((3METHYL5PROPAN2YL4((2PYRIDIN2YLSULFANYLACETYL)AMINO)PHENYL)METHYL)6PROPAN2YLPHENYL)2PYRIDIN2YLSULFANYLACETAMIDE
N(6METHYL2(METHYLETHYL)4((5METHYL3(METHYLETHYL)4(2(2PYRIDYLTHIO)ACETYLAMINO)PHENYL)METHYL)PHENYL)2(2PYRIDYLTHIO)ACETAMIDE
NN(METHANEDIYLBIS(2METHYL6(PROPAN2YL)BENZENE41DIYL))BIS(2(PYRIDIN2YLSULFANYL)ACETAMIDE)
ZINC000098043363
ZINC98043363

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Available files

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