Vitas-M small molecule compound
2-methyl-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide
Catalog ID
STK184264
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cc2nn(nc2cc1C)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 C22H18N6O3S MW 446.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O3S/c1-13-11-18-19(26-27(25-18)15-7-4-3-5-8-15)12-17(13)23-22(32)24-21(29)16-9-6-10-20(14(16)2)28(30)31/h3-12H,1-2H3,(H2,23,24,29,32)InChIKey
IXOAWWZPWCIILO-UHFFFAOYSA-NSynonyms
2METHYLN((6METHYL2PHENYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
2METHYLN((6METHYL2PHENYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C(=CC=C3)(N+)(=O)(O))C)C4=CC=CC=C4
InChI=1SC22H18N6O3Sc113111819(2627(2518)157435815)1217(13)2322(32)2421(29)16961020(14(16)2)28(30)31h312H12H3(H223242932)
MFCD03031054
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1cc2nn(nc2cc1C)c1ccccc1
ZINC000001180685
ZINC01180685
ZINC1180685
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