Vitas-M small molecule compound
N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK184263
SMILES COc1ccc(cc1)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 C22H18N6O4S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O4S/c1-13-11-18-19(26-27(25-18)14-7-9-15(32-2)10-8-14)12-17(13)23-22(33)24-21(29)16-5-3-4-6-20(16)28(30)31/h3-12H,1-2H3,(H2,23,24,29,33)InChIKey
RIRZNWMQVZUBNP-UHFFFAOYSA-NSynonyms
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3(N+)(=O)(O))C4=CC=C(C=C4)OC
COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC22H18N6O4Sc113111819(2627(2518)147915(322)10814)1217(13)2322(33)2421(29)16534620(16)28(30)31h312H12H3(H223242933)
MFCD02821689
N((2(4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
N((2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
ZINC000002985262
ZINC02985262
ZINC2985262
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