Vitas-M small molecule compound
4-methoxy-N-{[2-(naphthalen-1-yl)-2H-benzotriazol-5-yl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK392893
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1cccc2c1cccc2
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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 C25H18N6O4S MW 498.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N6O4S/c1-35-23-12-9-16(13-22(23)31(33)34)24(32)27-25(36)26-17-10-11-19-20(14-17)29-30(28-19)21-8-4-6-15-5-2-3-7-18(15)21/h2-14H,1H3,(H2,26,27,32,36)InChIKey
RJGAZGBOKAMKKA-UHFFFAOYSA-NSynonyms
(4METHOXY3NITROPHENYL)N(((2NAPHTHYL(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
4methoxyN((2(naphthalen1yl)2Hbenzotriazol5yl)carbamothioyl)3nitrobenzamide
4METHOXYN((2NAPHTHALEN1YLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1cccc2c1cccc2
InChI=1SC25H18N6O4Sc1352312916(1322(23)31(33)34)24(32)2725(36)261710111920(1417)2930(2819)2184615523718(15)21h214H1H3(H226273236)
MFCD02603032
ZINC000008721642
ZINC08721642
ZINC8721642
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