Vitas-M small molecule compound
2-chloro-5-{5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Catalog ID
STK771582
SMILES O=C(Nc1cccc(c1)C(F)(F)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 C17H11ClF3N5O3S MW 457.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClF3N5O3S/c18-13-5-4-11(7-12(13)15(28)29)26-16(23-24-25-26)30-8-14(27)22-10-3-1-2-9(6-10)17(19,20)21/h1-7H,8H2,(H,22,27)(H,28,29)InChIKey
DSWKQBBBENKPLV-UHFFFAOYSA-NSynonyms
797774-69-72chloro5(5((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)1Htetrazol1yl)benzoicacid
2chloro5(5((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)thio)1Htetrazol1yl)benzoicacid
2CHLORO5(5(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYLTETRAZOL1YL)BENZOICACID
797774697
C1=CC(=CC(=C1)NC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O)C(F)(F)F
InChI=1SC17H11ClF3N5O3Sc18135411(712(13)15(28)29)2616(23242526)30814(27)22103129(610)17(1920)21h17H8H2(H2227)(H2829)
MFCD03198262
ZINC000013646062
ZINC13646062
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