Vitas-M small molecule compound
N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK390392
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cc1)c1nc2c(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/c1-13-16(5-4-7-18(13)26(28)29)20(27)25-22(30)23-15-11-9-14(10-12-15)21-24-17-6-2-3-8-19(17)31-21/h2-12H,1H3,(H2,23,25,27,30)InChIKey
DVEVAHWREWDXAU-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3
InChI=1SC22H16N4O3S2c11316(54718(13)26(28)29)20(27)2522(30)231511914(101215)212417623819(17)3121h212H1H3(H223252730)
MFCD02923758
N(((4BENZOTHIAZOL2YLPHENYL)AMINO)THIOXOMETHYL)(2METHYL3NITROPHENYL)CARBOXAMIDE
N((4(13BENZOTHIAZOL2YL)PHENYL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc(cc1)c1nc2c(s1)cccc2
ZINC000002864056
ZINC02864056
ZINC2864056
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