Vitas-M small molecule compound
5-(4-tert-butylphenyl)-4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK108090
SMILES Sc1nnc(n1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl)c1ccc(cc1)C(C)(C)C
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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 C19H18ClN5O2S MW 415.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O2S/c1-19(2,3)14-7-5-13(6-8-14)17-22-23-18(28)24(17)21-11-12-4-9-15(20)16(10-12)25(26)27/h4-11H,1-3H3,(H,23,28)/b21-11+InChIKey
GNDBUUVSEVJQFH-SRZZPIQSSA-NSynonyms
430451-90-4(E)5(4(tertbutyl)phenyl)4((4chloro3nitrobenzylidene)amino)4H124triazole3thiol
3(4TERTBUTYLPHENYL)4((E)(4CHLORO3NITROPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4((1E)2(4CHLORO3NITROPHENYL)1AZAVINYL)5(4(TERTBUTYL)PHENYL)124TRIAZOLE3THIOL
5(4TERTBUTYLPHENYL)4(((E)(4CHLORO3NITROPHENYL)METHYLIDENE)AMINO)24DIHYDRO3H124TRIAZOLE3THIONE
5(4TERTBUTYLPHENYL)4(((E)(4CHLORO3NITROPHENYL)METHYLIDENE)AMINO)4H124TRIAZOLE3THIOL
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC19H18ClN5O2Sc119(23)147513(6814)17222318(28)24(17)2111124915(20)16(1012)25(26)27h411H13H3(H2328)b2111+
MFCD03138544
Sc1nnc(n1N=Cc1ccc(c(c1)(N+)(=O)(O))Cl)c1ccc(cc1)C(C)(C)C
ZINC33362034
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.