Vitas-M small molecule compound
4-{5-[(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Catalog ID
STK514362
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnnn1c1ccc(cc1)C(=O)O
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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/c18-12-6-3-10(17(19,20)21)7-13(12)22-14(27)8-30-16-23-24-25-26(16)11-4-1-9(2-5-11)15(28)29/h1-7H,8H2,(H,22,27)(H,28,29)InChIKey
CWQCPBUTVTYPBP-UHFFFAOYSA-NSynonyms
1091734-14-31091734143
4(5((2((2chloro5(trifluoromethyl)phenyl)amino)2oxoethyl)sulfanyl)1Htetrazol1yl)benzoicacid
4(5((2((2chloro5(trifluoromethyl)phenyl)amino)2oxoethyl)thio)1Htetrazol1yl)benzoicacid
4(5(2(2chloro5(trifluoromethyl)anilino)2oxoethyl)sulfanyltetrazol1yl)benzoicacid
C1=CC(=CC=C1C(=O)O)N2C(=NN=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI=1SC17H11ClF3N5O3Sc18126310(17(1920)21)713(12)2214(27)8301623242526(16)11419(2511)15(28)29h17H8H2(H2227)(H2829)
MFCD13370737
ZINC000019854451
ZINC19854451
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