Vitas-M small molecule compound

N-({2-[(2-bromo-4-chlorophenoxy)acetyl]hydrazinyl}carbonothioyl)-3-nitrobenzamide

Catalog ID
STL064043
SMILES O=C(COc1ccc(cc1Br)Cl)NNC(=S)NC(=O)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 C16H12BrClN4O5S MW 487.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrClN4O5S/c17-12-7-10(18)4-5-13(12)27-8-14(23)20-21-16(28)19-15(24)9-2-1-3-11(6-9)22(25)26/h1-7H,8H2,(H,20,23)(H2,19,21,24,28)
InChIKey
KAZXUXOHDJYOPI-UHFFFAOYSA-N
Synonyms

C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Br
InChI=1SC16H12BrClN4O5Sc1712710(18)4513(12)27814(23)202116(28)1915(24)921311(69)22(25)26h17H8H2(H2023)(H219212428)
MFCD05055065
N(((2(2BROMO4CHLOROPHENOXY)ACETYL)AMINO)CARBAMOTHIOYL)3NITROBENZAMIDE
N((2((2bromo4chlorophenoxy)acetyl)hydrazinyl)carbonothioyl)3nitrobenzamide
O=C(COc1ccc(cc1Br)Cl)NNC(=S)NC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000002886510
ZINC02886510
ZINC2886510

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Available files

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