Vitas-M small molecule compound
N-{[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
Catalog ID
STK347376
SMILES S=C(NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)Nc1ccccc1c1nc2c(s1)cccc2
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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 C22H16N4O3S2 MW 448.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O3S2/c1-13-10-11-14(12-18(13)26(28)29)20(27)25-22(30)24-16-7-3-2-6-15(16)21-23-17-8-4-5-9-19(17)31-21/h2-12H,1H3,(H2,24,25,27,30)InChIKey
IKDOVNMKDLRDBW-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)(N+)(=O)(O)
InChI=1SC22H16N4O3S2c113101114(1218(13)26(28)29)20(27)2522(30)2416732615(16)212317845919(17)3121h212H1H3(H224252730)
MFCD06006961
N((2(13benzothiazol2yl)phenyl)carbamothioyl)4methyl3nitrobenzamide
S=C(NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)Nc1ccccc1c1nc2c(s1)cccc2
ZINC000002879734
ZINC02879734
ZINC2879734
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