Vitas-M small molecule compound
1-{5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}propan-2-one
Catalog ID
STK226455
SMILES CC(=O)Cn1nc(nc1Sc1ccc(cc1)C)[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 C12H12N4O3S MW 292.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O3S/c1-8-3-5-10(6-4-8)20-12-13-11(16(18)19)14-15(12)7-9(2)17/h3-6H,7H2,1-2H3InChIKey
QKECKRGDAFTHPC-UHFFFAOYSA-NSynonyms
692281-07-51(3NITRO5((4METHYLPHENYL)SULFANYL)1H124TRIAZOL1YL)ACETONE
1(3nitro5(ptolylthio)1H124triazol1yl)propan2one
1(3NITRO5PTOLYLSULFANYL(124)TRIAZOL1YL)PROPAN2ONE
1(5((4methylphenyl)sulfanyl)3nitro1H124triazol1yl)propan2one
1(5(4METHYLPHENYL)SULFANYL3NITRO124TRIAZOL1YL)PROPAN2ONE
692281075
CC(=O)Cn1nc(nc1Sc1ccc(cc1)C)(N+)(=O)(O)
CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C)(N+)(=O)(O)
InChI=1SC12H12N4O3Sc183510(648)20121311(16(18)19)1415(12)79(2)17h36H7H212H3
MFCD03662950
ZINC000000466028
ZINC00466028
ZINC466028
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