Vitas-M small molecule compound
1-methyl-3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazole
Catalog ID
STK793281
SMILES Cn1nc(nc1Sc1[nH]cc(n1)c1ccc(cc1)[N+](=O)[O-])[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 C12H9N7O4S MW 347.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N7O4S/c1-17-12(15-10(16-17)19(22)23)24-11-13-6-9(14-11)7-2-4-8(5-3-7)18(20)21/h2-6H,1H3,(H,13,14)InChIKey
ITCDGBQRIIVYMK-UHFFFAOYSA-NSynonyms
695210-35-61METHYL3NITRO5((4(4NITROPHENYL)1HIMIDAZOL2YL)SULFANYL)1H124TRIAZOLE
1methyl3nitro5((4(4nitrophenyl)1Himidazol2yl)thio)1H124triazole
1METHYL3NITRO5((5(4NITROPHENYL)1HIMIDAZOL2YL)SULFANYL)124TRIAZOLE
695210356
CN1C(=NC(=N1)(N+)(=O)(O))SC2=NC=C(N2)C3=CC=C(C=C3)(N+)(=O)(O)
Cn1nc(nc1Sc1(nH)cc(n1)c1ccc(cc1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H9N7O4Sc11712(1510(1617)19(22)23)24111369(1411)7248(537)18(20)21h26H1H3(H1314)
MFCD03854702
ZINC000017208565
ZINC17208565
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