Vitas-M small molecule compound

4-ethoxy-N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-3-nitrobenzamide

Catalog ID
STK390653
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(cc1)OC

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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 C24H22N6O5S MW 506.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N6O5S/c1-4-35-22-10-5-15(12-21(22)30(32)33)23(31)26-24(36)25-18-13-20-19(11-14(18)2)27-29(28-20)16-6-8-17(34-3)9-7-16/h5-13H,4H2,1-3H3,(H2,25,26,31,36)
InChIKey
NFMLCONVMFSMGL-UHFFFAOYSA-N
Synonyms
536980-42-4
(4ETHOXY3NITROPHENYL)N(((2(4METHOXYPHENYL)6METHYL(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
4ethoxyN((2(4methoxyphenyl)6methyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)3nitrobenzamide
4ethoxyN((2(4methoxyphenyl)6methyl2Hbenzotriazol5yl)carbamothioyl)3nitrobenzamide
4ETHOXYN((2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
536980424
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(cc1)OC
InChI=1SC24H22N6O5Sc14352210515(1221(22)30(32)33)23(31)2624(36)2518132019(1114(18)2)2729(2820)166817(343)9716h513H4H213H3(H225263136)
MFCD02820578
ZINC000002230470
ZINC02230470
ZINC2230470

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.