Vitas-M small molecule compound
methyl 4-({[3-(4-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzoate
Catalog ID
STK105851
SMILES COC(=O)c1ccc(cc1)/C=N\n1c(S)nnc1c1ccc(cc1)Cl
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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 C17H13ClN4O2S MW 372.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4O2S/c1-24-16(23)13-4-2-11(3-5-13)10-19-22-15(20-21-17(22)25)12-6-8-14(18)9-7-12/h2-10H,1H3,(H,21,25)InChIKey
OMDRTGMBVJSFJV-UHFFFAOYSA-NSynonyms
(E)methyl4(((3(4chlorophenyl)5mercapto4H124triazol4yl)imino)methyl)benzoate
COC(=O)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl
COC(=O)c1ccc(cc1)C=Nn1c(S)nnc1c1ccc(cc1)Cl
InChI=1SC17H13ClN4O2Sc12416(23)134211(3513)10192215(202117(22)25)126814(18)9712h210H1H3(H2125)
METHYL4(((3(4CHLOROPHENYL)5SULFANYL4H124TRIAZOL4YL)IMINO)METHYL)BENZOATE
METHYL4((1Z)2(5(4CHLOROPHENYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOATE
METHYL4((3(4CHLOROPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD03218329
ZINC000239173705
ZINC01473731
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