Vitas-M small molecule compound
N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK184035
SMILES S=C(NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc2c(c1)nn(n2)c1ccc(cc1)C
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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 C21H16N6O3S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O3S/c1-13-5-8-16(9-6-13)26-24-18-10-7-15(12-19(18)25-26)22-21(31)23-20(28)14-3-2-4-17(11-14)27(29)30/h2-12H,1H3,(H2,22,23,28,31)InChIKey
PBLVVBGEOVCVLV-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H16N6O3Sc1135816(9613)26241810715(1219(18)2526)2221(31)2320(28)1432417(1114)27(29)30h212H1H3(H222232831)
MFCD02627070
N((2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
N((2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1)(N+)(=O)(O))Nc1ccc2c(c1)nn(n2)c1ccc(cc1)C
ZINC000001173197
ZINC01173197
ZINC1173197
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