Vitas-M small molecule compound

tert-butyl 4-{[(2-nitrophenyl)carbonyl]carbamothioyl}piperazine-1-carboxylate

Catalog ID
STL064190
SMILES S=C(N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)c1ccccc1[N+](=O)[O-]

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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 C17H22N4O5S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O5S/c1-17(2,3)26-16(23)20-10-8-19(9-11-20)15(27)18-14(22)12-6-4-5-7-13(12)21(24)25/h4-7H,8-11H2,1-3H3,(H,18,22,27)
InChIKey
LMQBMWHGEWGROV-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
InChI=1SC17H22N4O5Sc117(23)2616(23)2010819(91120)15(27)1814(22)12645713(12)21(24)25h47H811H213H3(H182227)
MFCD05085102
S=C(N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)c1ccccc1(N+)(=O)(O)
tertbutyl4(((2nitrophenyl)carbonyl)carbamothioyl)piperazine1carboxylate
TERTBUTYL4((2NITROBENZOYL)CARBAMOTHIOYL)PIPERAZINE1CARBOXYLATE
ZINC000002886582
ZINC02886582
ZINC2886582

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Available files

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