Vitas-M small molecule compound

4-{benzyl[(4-phenyl-2-thioxoimidazolidin-1-yl)acetyl]amino}-N-[4-(dimethylamino)phenyl]tetrahydro-2H-thiopyran-4-carboxamide

Catalog ID
STL447072
SMILES O=C(N(C1(CCSCC1)C(=O)Nc1ccc(cc1)N(C)C)Cc1ccccc1)CN1CC(NC1=S)c1ccccc1

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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 C32H37N5O2S2 MW 587.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N5O2S2/c1-35(2)27-15-13-26(14-16-27)33-30(39)32(17-19-41-20-18-32)37(21-24-9-5-3-6-10-24)29(38)23-36-22-28(34-31(36)40)25-11-7-4-8-12-25/h3-16,28H,17-23H2,1-2H3,(H,33,39)(H,34,40)
InChIKey
DHHROVLGCVLWBY-UHFFFAOYSA-N
Synonyms

4(benzyl((4phenyl2thioxoimidazolidin1yl)acetyl)amino)N(4(dimethylamino)phenyl)tetrahydro2Hthiopyran4carboxamide
4(benzyl(2(4phenyl2sulfanylideneimidazolidin1yl)acetyl)amino)N(4(dimethylamino)phenyl)thiane4carboxamide
4(BENZYL(2(4PHENYL2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETYL)AMINO)N(4DIMETHYLAMINOPHENYL)THIANE4CARBOXAMIDE
4(NBENZYL2(4PHENYL2THIOXOIMIDAZOLIDIN1YL)ACETAMIDO)N(4(DIMETHYLAMINO)PHENYL)TETRAHYDRO2HTHIOPYRAN4CARBOXAMIDE
CN(C)C1=CC=C(C=C1)NC(=O)C2(CCSCC2)N(CC3=CC=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5
InChI=1SC32H37N5O2S2c135(2)27151326(141627)3330(39)32(171941201832)37(212495361024)29(38)23362228(3431(36)40)25117481225h31628H1723H212H3(H3339)(H3440)
MFCD06240626
ZINC000008695948
ZINC000008695949

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Available files

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