Vitas-M small molecule compound
2-chloro-5-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Catalog ID
STL071321
SMILES O=C(Nc1ccc(cc1)F)CSc1nnnn1c1ccc(c(c1)C(=O)O)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 C16H11ClFN5O3S MW 407.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClFN5O3S/c17-13-6-5-11(7-12(13)15(25)26)23-16(20-21-22-23)27-8-14(24)19-10-3-1-9(18)2-4-10/h1-7H,8H2,(H,19,24)(H,25,26)InChIKey
YFQGAYIXPZNNIE-UHFFFAOYSA-NSynonyms
634166-39-52chloro5(5((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)1Htetrazol1yl)benzoicacid
2chloro5(5((2((4fluorophenyl)amino)2oxoethyl)thio)1Htetrazol1yl)benzoicacid
2CHLORO5(5(2(4FLUOROANILINO)2OXOETHYL)SULFANYLTETRAZOL1YL)BENZOICACID
634166395
C1=CC(=CC=C1NC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O)F
InChI=1SC16H11ClFN5O3Sc17136511(712(13)15(25)26)2316(20212223)27814(24)1910319(18)2410h17H8H2(H1924)(H2526)
MFCD03819971
ZINC000004581374
ZINC4581374
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