Vitas-M small molecule compound

5-(3-nitrophenyl)-N-{[2-(piperidin-1-yl)phenyl]carbamothioyl}furan-2-carboxamide

Catalog ID
STK355753
SMILES S=C(Nc1ccccc1N1CCCCC1)NC(=O)c1ccc(o1)c1cccc(c1)[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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c28-22(21-12-11-20(31-21)16-7-6-8-17(15-16)27(29)30)25-23(32)24-18-9-2-3-10-19(18)26-13-4-1-5-14-26/h2-3,6-12,15H,1,4-5,13-14H2,(H2,24,25,28,32)
InChIKey
PBTZDKNKXRSZPM-UHFFFAOYSA-N
Synonyms
532942-42-0
1(5(3NITROPHENYL)FURAN2CARBONYL)3(2PIPERIDIN1YLPHENYL)THIOUREA
5(3NITROPHENYL)N((2(1PIPERIDINYL)ANILINO)SULFANYLIDENEMETHYL)2FURANCARBOXAMIDE
5(3nitrophenyl)N((2(piperidin1yl)phenyl)carbamothioyl)furan2carboxamide
5(3NITROPHENYL)N((2PIPERIDIN1YLPHENYL)CARBAMOTHIOYL)FURAN2CARBOXAMIDE
5(3NITROPHENYL)N((2PIPERIDINOPHENYL)THIOCARBAMOYL)2FURAMIDE
532942420
C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC23H22N4O4Sc2822(21121120(3121)1676817(1516)27(29)30)2523(32)24189231019(18)26134151426h2361215H1451314H2(H224252832)
MFCD03570964
S=C(Nc1ccccc1N1CCCCC1)NC(=O)c1ccc(o1)c1cccc(c1)(N+)(=O)(O)
ZINC000008690141
ZINC08690141
ZINC8690141

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Available files

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