Vitas-M small molecule compound
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-nitrophenyl)ethanone
Catalog ID
STL439241
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CN1CCN(CC1)c1nc2c(s1)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 C19H18N4O3S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3S/c24-17(14-5-7-15(8-6-14)23(25)26)13-21-9-11-22(12-10-21)19-20-16-3-1-2-4-18(16)27-19/h1-8H,9-13H2InChIKey
IRBBJKBEQFORBR-UHFFFAOYSA-NSynonyms
2(4(13benzothiazol2yl)piperazin1yl)1(4nitrophenyl)ethanone
C1CN(CCN1CC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=NC4=CC=CC=C4S3
InChI=1SC19H18N4O3Sc2417(145715(8614)23(25)26)132191122(121021)192016312418(16)2719h18H913H2
O=C(c1ccc(cc1)(N+)(=O)(O))CN1CCN(CC1)c1nc2c(s1)cccc2
ZINC000036056519
ZINC36056519
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