Vitas-M small molecule compound
N-{[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK183958
SMILES CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cccc(c1C)[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 C24H22N6O4S MW 490.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N6O4S/c1-4-34-17-10-8-16(9-11-17)29-27-20-12-14(2)19(13-21(20)28-29)25-24(35)26-23(31)18-6-5-7-22(15(18)3)30(32)33/h5-13H,4H2,1-3H3,(H2,25,26,31,35)InChIKey
GUYIGNRCNDPPHS-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C)C
CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC24H22N6O4Sc14341710816(91117)2927201214(2)19(1321(20)2829)2524(35)2623(31)1865722(15(18)3)30(32)33h513H4H213H3(H225263135)
MFCD02923578
N((2(4ETHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
N((2(4ETHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
ZINC000009906362
ZINC09906362
ZINC9906362
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