Vitas-M small molecule compound
N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK009827
SMILES COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]
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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 C22H17ClN6O4S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN6O4S/c1-12-9-17-18(27-28(26-17)13-7-8-20(33-2)15(23)10-13)11-16(12)24-22(34)25-21(30)14-5-3-4-6-19(14)29(31)32/h3-11H,1-2H3,(H2,24,25,30,34)InChIKey
DKBRLPDLWQXPDK-UHFFFAOYSA-NSynonyms
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3(N+)(=O)(O))C4=CC(=C(C=C4)OC)Cl
COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC22H17ClN6O4Sc11291718(2728(2617)137820(332)15(23)1013)1116(12)2422(34)2521(30)14534619(14)29(31)32h311H12H3(H224253034)
MFCD02915075
N(((2(3CHLORO4METHOXYPHENYL)6METHYL(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)(2NITROPHENYL)CARBOXAMIDE
N((2(3CHLORO4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
N((2(3CHLORO4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
STK009827
ZINC000002863913
ZINC02863913
ZINC2863913
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