Vitas-M small molecule compound
5-(2-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK213284
SMILES NC(=S)N1N=C(CC1c1ccccc1[N+](=O)[O-])c1ccccc1
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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 C16H14N4O2S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O2S/c17-16(23)19-15(12-8-4-5-9-14(12)20(21)22)10-13(18-19)11-6-2-1-3-7-11/h1-9,15H,10H2,(H2,17,23)InChIKey
DWQCTCNZWDSIDA-UHFFFAOYSA-NSynonyms
3(2nitrophenyl)5phenyl34dihydropyrazole2carbothioamide
5(2NITROPHENYL)3PHENYL45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
C1C(N(N=C1C2=CC=CC=C2)C(=S)N)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC16H14N4O2Sc1716(23)1915(12845914(12)20(21)22)1013(1819)116213711h1915H10H2(H21723)
MFCD09960192
NC(=S)N1N=C(CC1c1ccccc1(N+)(=O)(O))c1ccccc1
ZINC000012868005
ZINC000012868013
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