Vitas-M small molecule compound
4-chloro-3-{5-[({2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]furan-2-yl}benzoic acid
Catalog ID
STK723854
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)CNCCSc1nnnn1c1ccccc1)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 C21H18ClN5O3S MW 455.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O3S/c22-18-8-6-14(20(28)29)12-17(18)19-9-7-16(30-19)13-23-10-11-31-21-24-25-26-27(21)15-4-2-1-3-5-15/h1-9,12,23H,10-11,13H2,(H,28,29)InChIKey
JIKOZTNMBDSKPG-UHFFFAOYSA-NSynonyms
4chloro3(5(((2((1phenyl1Htetrazol5yl)sulfanyl)ethyl)amino)methyl)furan2yl)benzoicacid
4chloro3(5(((2((1phenyl1Htetrazol5yl)thio)ethyl)amino)methyl)furan2yl)benzoicacidhydrochloride
4chloro3(5((2(1phenyltetrazol5yl)sulfanylethylazaniumyl)methyl)furan2yl)benzoate
C1=CC=C(C=C1)N2C(=NN=N2)SCC(NH2+)CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)(O))Cl
InChI=1SC21H18ClN5O3Sc22188614(20(28)29)1217(18)199716(3019)13231011312124252627(21)154213515h191223H101113H2(H2829)
MFCD09691892
OC(=O)c1ccc(c(c1)c1ccc(o1)CNCCSc1nnnn1c1ccccc1)ClCl
ZINC000013730566
ZINC13730566
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