Vitas-M small molecule compound
4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL046295
SMILES Clc1ccc(cc1/C=N/n1c(COc2ccccc2)n[nH]c1=S)[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 C16H12ClN5O3S MW 389.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN5O3S/c17-14-7-6-12(22(23)24)8-11(14)9-18-21-15(19-20-16(21)26)10-25-13-4-2-1-3-5-13/h1-9H,10H2,(H,20,26)/b18-9+InChIKey
YCNHWPFRELPOSP-GIJQJNRQSA-NSynonyms
500147-20-64(((E)(2chloro5nitrophenyl)methylidene)amino)5(phenoxymethyl)24dihydro3H124triazole3thione
4((2CHLORO5NITROBENZYLIDENE)AMINO)5(PHENOXYMETHYL)4H124TRIAZOLE3THIOL
4((E)(2CHLORO5NITROPHENYL)METHYLIDENEAMINO)3(PHENOXYMETHYL)1H124TRIAZOLE5THIONE
500147206
C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl
Clc1ccc(cc1C=Nn1c(COc2ccccc2)n(nH)c1=S)(N+)(=O)(O)
InChI=1SC16H12ClN5O3Sc17147612(22(23)24)811(14)9182115(192016(21)26)1025134213513h19H10H2(H2026)b189+
MFCD03809516
ZINC000015988023
ZINC15988022
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