Vitas-M small molecule compound

N-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-nitrobenzamide

Catalog ID
STK078666
SMILES S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1cccc(c1)Br

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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 C21H13BrN4O4S MW 497.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrN4O4S/c22-14-3-1-2-13(10-14)20-24-17-11-15(6-9-18(17)30-20)23-21(31)25-19(27)12-4-7-16(8-5-12)26(28)29/h1-11H,(H2,23,25,27,31)
InChIKey
CSRHCVRIRXZOGY-UHFFFAOYSA-N
Synonyms
461035-85-8
461035858
C1=CC(=CC(=C1)Br)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H13BrN4O4Sc221431213(1014)2024171115(6918(17)3020)2321(31)2519(27)124716(8512)26(28)29h111H(H223252731)
MFCD02624962
N((2(3BROMOPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)4NITROBENZAMIDE
N((2(3bromophenyl)benzo(d)oxazol5yl)carbamothioyl)4nitrobenzamide
S=C(NC(=O)c1ccc(cc1)(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1cccc(c1)Br
STK078666
ZINC000002221655
ZINC02221655
ZINC2221655

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Available files

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