Vitas-M small molecule compound
4-methoxy-3-nitro-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide
Catalog ID
STK048665
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccccc1
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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 C21H16N6O4S MW 448.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O4S/c1-31-19-10-7-13(11-18(19)27(29)30)20(28)23-21(32)22-14-8-9-16-17(12-14)25-26(24-16)15-5-3-2-4-6-15/h2-12H,1H3,(H2,22,23,28,32)InChIKey
IYQMVTRFLSHDSM-UHFFFAOYSA-NSynonyms
333739-01-8(4METHOXY3NITROPHENYL)N(((2PHENYL(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
1(4METHOXY3NITROBENZOYL)3(2PHENYL2HBENZOTRIAZOL5YL)THIOUREA
333739018
4methoxy3nitroN((2phenyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
4METHOXY3NITRON((2PHENYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4METHOXY3NITRON((2PHENYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccccc1
InChI=1SC21H16N6O4Sc1311910713(1118(19)27(29)30)20(28)2321(32)2214891617(1214)2526(2416)155324615h212H1H3(H222232832)
MFCD02578122
N(3NITRO4METHOXYBENZOYL)N(2PHENYL2H123BENZOTRIAZOL5YL)THIOUREA
STK048665
ZINC000002064378
ZINC02064378
ZINC2064378
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