Vitas-M small molecule compound
4-{[(E)-(3-chloro-4-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK111582
SMILES COc1ccc(cc1Cl)/C=N/n1c(S)nnc1c1ccccc1
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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 C16H13ClN4OS MW 344.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN4OS/c1-22-14-8-7-11(9-13(14)17)10-18-21-15(19-20-16(21)23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,23)/b18-10+InChIKey
IPONMPFVIAMEIV-VCHYOVAHSA-NSynonyms
4(((E)(3CHLORO4METHOXYPHENYL)METHYLIDENE)AMINO)5PHENYL4H124TRIAZOLE3THIOL
4((E)(3CHLORO4METHOXYPHENYL)METHYLIDENEAMINO)3PHENYL1H124TRIAZOLE5THIONE
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)Cl
COc1ccc(cc1Cl)C=Nn1c(S)nnc1c1ccccc1
InChI=1SC16H13ClN4OSc122148711(913(14)17)10182115(192016(21)23)125324612h210H1H3(H2023)b1810+
MFCD05134072
ZINC000005911081
ZINC566980
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