Vitas-M small molecule compound

N-({2-[(2,4-dichlorophenoxy)acetyl]hydrazinyl}carbonothioyl)-2-nitrobenzamide

Catalog ID
STK097997
SMILES O=C(COc1ccc(cc1Cl)Cl)NNC(=S)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 C16H12Cl2N4O5S MW 443.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2N4O5S/c17-9-5-6-13(11(18)7-9)27-8-14(23)20-21-16(28)19-15(24)10-3-1-2-4-12(10)22(25)26/h1-7H,8H2,(H,20,23)(H2,19,21,24,28)
InChIKey
YDWIGPRHLWQKBH-UHFFFAOYSA-N
Synonyms

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)(N+)(=O)(O)
InChI=1SC16H12Cl2N4O5Sc1795613(11(18)79)27814(23)202116(28)1915(24)10312412(10)22(25)26h17H8H2(H2023)(H219212428)
MFCD03592091
N(((2(24DICHLOROPHENOXY)ACETYL)AMINO)CARBAMOTHIOYL)2NITROBENZAMIDE
N((2((24DICHLOROPHENOXY)ACETYL)HYDRAZINO)CARBOTHIOYL)2NITROBENZAMIDE
N((2((24DICHLOROPHENOXY)ACETYL)HYDRAZINYL)CARBONOTHIOYL)2NITROBENZAMIDE
O=C(COc1ccc(cc1Cl)Cl)NNC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
STK097997
ZINC000002135508
ZINC02135508
ZINC2135508

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Available files

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