Vitas-M small molecule compound

methyl 4-({[5-oxo-1,3-bis(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate

Catalog ID
STK019095
SMILES COC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccccc2)C(=S)N(C1=O)CCc1ccccc1

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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 C29H29N3O4S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4S/c1-36-28(35)23-12-14-24(15-13-23)30-26(33)20-25-27(34)32(19-17-22-10-6-3-7-11-22)29(37)31(25)18-16-21-8-4-2-5-9-21/h2-15,25H,16-20H2,1H3,(H,30,33)
InChIKey
YQZGSQGNWXVMNR-UHFFFAOYSA-N
Synonyms
585516-81-0
585516810
COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=C3)CCC4=CC=CC=C4
COC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccccc2)C(=S)N(C1=O)CCc1ccccc1
InChI=1SC29H29N3O4Sc13628(35)23121424(151323)3026(33)202527(34)32(191722106371122)29(37)31(25)1816218425921h21525H1620H21H3(H3033)
METHYL4(((5OXO13BIS(2PHENYLETHYL)2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4((2(5oxo13bis(2phenylethyl)2sulfanylideneimidazolidin4yl)acetyl)amino)benzoate
METHYL4((2(5OXO13DIPHENETHYL2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4(2(5oxo13diphenethyl2thioxoimidazolidin4yl)acetamido)benzoate
MFCD02142520
STK019095
ZINC000008993780
ZINC000009216555

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Available files

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