Vitas-M small molecule compound
4-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide
Catalog ID
STK009672
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)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 C22H18N6O4S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O4S/c1-13-10-17-18(26-27(25-17)15-6-4-3-5-7-15)12-16(13)23-22(33)24-21(29)14-8-9-20(32-2)19(11-14)28(30)31/h3-12H,1-2H3,(H2,23,24,29,33)InChIKey
AZPHPZLXNOMKNP-UHFFFAOYSA-NSynonyms
428446-94-0428446940
4methoxyN((6methyl2phenyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)3nitrobenzamide
4METHOXYN((6METHYL2PHENYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
4METHOXYN((6METHYL2PHENYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)OC)(N+)(=O)(O))C4=CC=CC=C4
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccccc1
InChI=1SC22H18N6O4Sc113101718(2627(2517)156435715)1216(13)2322(33)2421(29)148920(322)19(1114)28(30)31h312H12H3(H223242933)
MFCD02625231
STK009672
ZINC000002215506
ZINC02215506
ZINC2215506
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