Vitas-M small molecule compound
1-[1-(4-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-(3-nitrophenyl)thiourea
Catalog ID
STK454451
SMILES S=C(Nc1ncn(n1)Cc1ccc(cc1)F)Nc1cccc(c1)[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 C16H13FN6O2S MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13FN6O2S/c17-12-6-4-11(5-7-12)9-22-10-18-15(21-22)20-16(26)19-13-2-1-3-14(8-13)23(24)25/h1-8,10H,9H2,(H2,19,20,21,26)InChIKey
SYPIRAHHJKHFDR-UHFFFAOYSA-NSynonyms
((1((4FLUOROPHENYL)METHYL)(124TRIAZOL3YL))AMINO)((3NITROPHENYL)AMINO)METHANE1THIONE
1(1((4fluorophenyl)methyl)124triazol3yl)3(3nitrophenyl)thiourea
1(1(4fluorobenzyl)1H124triazol3yl)3(3nitrophenyl)thiourea
C1=CC(=CC(=C1)(N+)(=O)(O))NC(=S)NC2=NN(C=N2)CC3=CC=C(C=C3)F
InChI=1SC16H13FN6O2Sc17126411(5712)922101815(2122)2016(26)191321314(813)23(24)25h1810H9H2(H219202126)
MFCD04226691
S=C(Nc1ncn(n1)Cc1ccc(cc1)F)Nc1cccc(c1)(N+)(=O)(O)
ZINC000006633306
ZINC06633306
ZINC6633306
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