Vitas-M small molecule compound
N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]pentanamide
Catalog ID
STK234206
SMILES CCCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)/C=C/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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-2-3-10-19(26)22-16-7-5-8-17(14-16)23-21(30)24-20(27)12-11-15-6-4-9-18(13-15)25(28)29/h4-9,11-14H,2-3,10H2,1H3,(H,22,26)(H2,23,24,27,30)/b12-11+InChIKey
XBJOKWWAOYKPRX-VAWYXSNFSA-NSynonyms
CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
CCCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC21H22N4O4Sc1231019(26)221675817(1416)2321(30)2420(27)12111564918(1315)25(28)29h491114H2310H21H3(H2226)(H223242730)b1211+
MFCD03571078
N(3((((2E)3(3nitrophenyl)prop2enoyl)carbamothioyl)amino)phenyl)pentanamide
N(3(((E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)PHENYL)PENTANAMIDE
ZINC000002826669
ZINC02826669
ZINC2826669
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