Vitas-M small molecule compound
N-[(E)-(2-chloro-5-nitrophenyl)methylidene]-3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
Catalog ID
STK980169
SMILES CSc1nnc(n1/N=C/c1cc(ccc1Cl)[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 C16H12ClN5O2S MW 373.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN5O2S/c1-25-16-20-19-15(11-5-3-2-4-6-11)21(16)18-10-12-9-13(22(23)24)7-8-14(12)17/h2-10H,1H3/b18-10+InChIKey
DCRIIPVUPKFSKH-VCHYOVAHSA-NSynonyms
(E)1(2chloro5nitrophenyl)N(3methylsulfanyl5phenyl124triazol4yl)methanimine
1(2CHLORO5NITROPHENYL)N(3METHYLSULFANYL5PHENYL124TRIAZOL4YL)METHANIMINE
CSC1=NN=C(N1N=CC2=C(C=CC(=C2)(N+)(=O)(O))Cl)C3=CC=CC=C3
CSc1nnc(n1N=Cc1cc(ccc1Cl)(N+)(=O)(O))c1ccccc1
InChI=1SC16H12ClN5O2Sc12516201915(115324611)21(16)181012913(22(23)24)7814(12)17h210H1H3b1810+
MFCD03719313
N((E)(2chloro5nitrophenyl)methylidene)3(methylsulfanyl)5phenyl4H124triazol4amine
ZINC000001122527
ZINC33309009
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