Vitas-M small molecule compound
5-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-methyl-3-nitro-1H-1,2,4-triazole
Catalog ID
STK783589
SMILES Cn1nc(nc1Sc1nnc([nH]1)c1ccccc1Cl)[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 C11H8ClN7O2S MW 337.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8ClN7O2S/c1-18-11(14-9(17-18)19(20)21)22-10-13-8(15-16-10)6-4-2-3-5-7(6)12/h2-5H,1H3,(H,13,15,16)InChIKey
VZRCPXLRJHKKDZ-UHFFFAOYSA-NSynonyms
5((5(2CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)1METHYL3NITRO124TRIAZOLE
5((5(2chlorophenyl)4H124triazol3yl)sulfanyl)1methyl3nitro1H124triazole
CN1C(=NC(=N1)(N+)(=O)(O))SC2=NNC(=N2)C3=CC=CC=C3Cl
Cn1nc(nc1Sc1nnc((nH)1)c1ccccc1Cl)(N+)(=O)(O)
InChI=1SC11H8ClN7O2Sc11811(149(1718)19(20)21)2210138(151610)642357(6)12h25H1H3(H131516)
MFCD06618538
ZINC000004511970
ZINC04511970
ZINC4511970
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