Vitas-M small molecule compound

methyl 4-({[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate

Catalog ID
STK029117
SMILES COC(=O)c1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccccc1)c1ccc(cc1)Cl

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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 C26H22ClN3O4S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O4S/c1-34-25(33)18-7-11-20(12-8-18)28-23(31)15-22-24(32)30(21-13-9-19(27)10-14-21)26(35)29(22)16-17-5-3-2-4-6-17/h2-14,22H,15-16H2,1H3,(H,28,31)
InChIKey
LVKZNSKQVBYTAR-UHFFFAOYSA-N
Synonyms
1024709-83-8
1024709838
COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl
COC(=O)c1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccccc1)c1ccc(cc1)Cl
InChI=1SC26H22ClN3O4Sc13425(33)1871120(12818)2823(31)152224(32)30(2113919(27)101421)26(35)29(22)16175324617h21422H1516H21H3(H2831)
METHYL4(((3BENZYL1(4CHLOROPHENYL)5OXO2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
METHYL4((2(3BENZYL1(4CHLOROPHENYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4(2(3benzyl1(4chlorophenyl)5oxo2thioxoimidazolidin4yl)acetamido)benzoate
MFCD02142290
STK029117
ZINC000009137128
ZINC000009137131

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Available files

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