Vitas-M small molecule compound

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

Catalog ID
STK091765
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc2nn(nc2cc1C)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 C24H22N6O4S MW 490.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N6O4S/c1-4-34-22-10-7-16(12-21(22)30(32)33)23(31)26-24(35)25-18-13-20-19(11-15(18)3)27-29(28-20)17-8-5-14(2)6-9-17/h5-13H,4H2,1-3H3,(H2,25,26,31,35)
InChIKey
CQLMFXXZNCAXKV-UHFFFAOYSA-N
Synonyms
428473-03-4
428473034
4ETHOXYN((6METHYL2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
4ETHOXYN((6METHYL2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
4ethoxyN((6methyl2(ptolyl)2Hbenzo(d)(123)triazol5yl)carbamothioyl)3nitrobenzamide
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(cc1)C
InChI=1SC24H22N6O4Sc14342210716(1221(22)30(32)33)23(31)2624(35)2518132019(1115(18)3)2729(2820)178514(2)6917h513H4H213H3(H225263135)
MFCD02626928
STK091765
ZINC000002257863
ZINC02257863
ZINC2257863

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Available files

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