Vitas-M small molecule compound
2-{5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}-1-phenylethanone
Catalog ID
STK877922
SMILES Cc1ccc(cc1)Sc1nc(nn1CC(=O)c1ccccc1)[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 C17H14N4O3S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O3S/c1-12-7-9-14(10-8-12)25-17-18-16(21(23)24)19-20(17)11-15(22)13-5-3-2-4-6-13/h2-10H,11H2,1H3InChIKey
KBSOLSPFUMNRLB-UHFFFAOYSA-NSynonyms
692281-65-52(3NITRO5((4METHYLPHENYL)SULFANYL)1H124TRIAZOL1YL)1PHENYLETHANONE
2(3nitro5(ptolylthio)1H124triazol1yl)1phenylethanone
2(5((4methylphenyl)sulfanyl)3nitro1H124triazol1yl)1phenylethanone
2(5(4METHYLPHENYL)SULFANYL3NITRO124TRIAZOL1YL)1PHENYLETHANONE
692281655
CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C3=CC=CC=C3)(N+)(=O)(O)
Cc1ccc(cc1)Sc1nc(nn1CC(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC17H14N4O3Sc1127914(10812)25171816(21(23)24)1920(17)1115(22)135324613h210H11H21H3
MFCD03664944
ZINC000001134801
ZINC01134801
ZINC1134801
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