Vitas-M small molecule compound
4-methoxy-N-{[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK173575
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1scc(n1)c1ccc2c(c1)cccc2
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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 C22H16N4O4S2 MW 464.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O4S2/c1-30-19-9-8-16(11-18(19)26(28)29)20(27)24-21(31)25-22-23-17(12-32-22)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H2,23,24,25,27,31)InChIKey
KOCINCLWVGGGEE-UHFFFAOYSA-NSynonyms
4METHOXYN((4(NAPHTHALEN2YL)13THIAZOL2YL)CARBAMOTHIOYL)3NITROBENZAMIDE
4METHOXYN((4NAPHTHALEN2YL13THIAZOL2YL)CARBAMOTHIOYL)3NITROBENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1scc(n1)c1ccc2c(c1)cccc2
InChI=1SC22H16N4O4S2c130199816(1118(19)26(28)29)20(27)2421(31)25222317(123222)157613423514(13)1015h212H1H3(H22324252731)
MFCD03242064
ZINC000003000147
ZINC03000147
ZINC3000147
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