Vitas-M small molecule compound
{[1-(3-chloro-4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetic acid
Catalog ID
STL388469
SMILES OC(=O)CSc1nnnn1c1ccc(c(c1)Cl)F
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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 C9H6ClFN4O2S MW 288.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6ClFN4O2S/c10-6-3-5(1-2-7(6)11)15-9(12-13-14-15)18-4-8(16)17/h1-3H,4H2,(H,16,17)InChIKey
MCRRWHROXYLHST-UHFFFAOYSA-NSynonyms
((1(3chloro4fluorophenyl)1Htetrazol5yl)sulfanyl)aceticacid
2(1(3CHLORO4FLUOROPHENYL)TETRAZOL5YL)SULFANYLACETICACID
C1=CC(=C(C=C1N2C(=NN=N2)SCC(=O)O)Cl)F
InChI=1SC9H6ClFN4O2Sc10635(127(6)11)159(12131415)1848(16)17h13H4H2(H1617)
MFCD02928027
ZINC000005050206
ZINC5050206
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