Vitas-M small molecule compound

propan-2-yl {1-[(biphenyl-4-ylcarbonyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate

Catalog ID
STL064545
SMILES CC(OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccc(cc1)c1ccccc1)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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-15(2)30-20(27)14-19-22(29)24-12-13-26(19)23(31)25-21(28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,24,29)(H,25,28,31)
InChIKey
AGDMMULSNHLPFK-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI=1SC23H25N3O4Sc115(2)3020(27)141922(29)24121326(19)23(31)2521(28)1810817(91118)166435716h3111519H1214H212H3(H2429)(H252831)
MFCD05872225
propan2yl(1((biphenyl4ylcarbonyl)carbamothioyl)3oxopiperazin2yl)acetate
PROPAN2YL2(3OXO1((4PHENYLBENZOYL)CARBAMOTHIOYL)PIPERAZIN2YL)ACETATE
ZINC000010128953
ZINC000010128956

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Available files

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