Vitas-M small molecule compound
N-{[2-(4-chlorophenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-4-nitrobenzamide
Catalog ID
STK002753
SMILES S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1cc2nn(nc2cc1C)c1ccc(cc1)Cl
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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 C21H15ClN6O3S MW 466.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN6O3S/c1-12-10-18-19(26-27(25-18)15-8-4-14(22)5-9-15)11-17(12)23-21(32)24-20(29)13-2-6-16(7-3-13)28(30)31/h2-11H,1H3,(H2,23,24,29,32)InChIKey
HPTSVZSKQUSLOX-UHFFFAOYSA-NSynonyms
347337-13-7347337137
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)Cl
InChI=1SC21H15ClN6O3Sc112101819(2627(2518)158414(22)5915)1117(12)2321(32)2420(29)132616(7313)28(30)31h211H1H3(H223242932)
MFCD02221828
N((2(4chlorophenyl)6methyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)4nitrobenzamide
N((2(4CHLOROPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)4NITROBENZAMIDE
N((2(4CHLOROPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)4NITROBENZAMIDE
S=C(NC(=O)c1ccc(cc1)(N+)(=O)(O))Nc1cc2nn(nc2cc1C)c1ccc(cc1)Cl
STK002753
ZINC000001184158
ZINC01184158
ZINC1184158
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